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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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/JEV2-817fc5d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV2-817fc5d5/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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -140.017540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.017540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.017540 (E_RNA)
where:
Base-Base interactions energy: -66.413
where: short stacking energy: -51.150
Base-Backbone interact. energy: 0.516
local terms energy: -74.121364
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -139.388330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.388330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.388330 (E_RNA)
where:
Base-Base interactions energy: -67.614
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.070
local terms energy: -71.704672
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -155.043685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.043685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.043685 (E_RNA)
where:
Base-Base interactions energy: -91.836
where: short stacking energy: -43.683
Base-Backbone interact. energy: -0.501
local terms energy: -62.706818
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -113.976562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.976562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.976562 (E_RNA)
where:
Base-Base interactions energy: -52.685
where: short stacking energy: -48.243
Base-Backbone interact. energy: -0.147
local terms energy: -61.143840
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.631
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: 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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -160.052005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.052005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.052005 (E_RNA)
where:
Base-Base interactions energy: -79.993
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.303
local terms energy: -79.756090
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -11.473
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: 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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -173.617927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.617927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.617927 (E_RNA)
where:
Base-Base interactions energy: -100.606
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.001
local terms energy: -73.011266
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -134.593740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.593740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.593740 (E_RNA)
where:
Base-Base interactions energy: -65.083
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.006
local terms energy: -69.504731
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -102.070885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.070885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.070885 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -45.313
Base-Backbone interact. energy: -0.543
local terms energy: -54.230380
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -210.475018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.475018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.475018 (E_RNA)
where:
Base-Base interactions energy: -133.374
where: short stacking energy: -69.435
Base-Backbone interact. energy: -0.345
local terms energy: -76.756669
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -195.983718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.983718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.983718 (E_RNA)
where:
Base-Base interactions energy: -126.591
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.029
local terms energy: -69.364172
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -123.176274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.176274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.176274 (E_RNA)
where:
Base-Base interactions energy: -54.048
where: short stacking energy: -51.448
Base-Backbone interact. energy: -1.599
local terms energy: -67.529482
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -9.372
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -121.547438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.547438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.547438 (E_RNA)
where:
Base-Base interactions energy: -54.213
where: short stacking energy: -44.071
Base-Backbone interact. energy: -0.036
local terms energy: -67.298932
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -10.271
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: 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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -96.986113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986113 (E_RNA)
where:
Base-Base interactions energy: -36.494
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.175
local terms energy: -60.317146
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -215.871552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871552 (E_RNA)
where:
Base-Base interactions energy: -140.868
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.089
local terms energy: -74.915383
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -17.671
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: 6
Temperature: 0.950000
Total energy: -192.301600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.301600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.301600 (E_RNA)
where:
Base-Base interactions energy: -108.642
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.002
local terms energy: -83.658281
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -133.702484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.702484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.702484 (E_RNA)
where:
Base-Base interactions energy: -66.252
where: short stacking energy: -44.214
Base-Backbone interact. energy: -0.270
local terms energy: -67.179880
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -110.339084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.339084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.339084 (E_RNA)
where:
Base-Base interactions energy: -45.544
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.188
local terms energy: -64.606949
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -12.204
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: 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: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -116.432382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.432382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.432382 (E_RNA)
where:
Base-Base interactions energy: -61.889
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.774
local terms energy: -53.768678
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -209.855045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.855045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.855045 (E_RNA)
where:
Base-Base interactions energy: -141.414
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.077
local terms energy: -68.364211
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -181.961129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.961129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.961129 (E_RNA)
where:
Base-Base interactions energy: -108.114
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.102
local terms energy: -73.745434
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -110.534734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.534734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.534734 (E_RNA)
where:
Base-Base interactions energy: -50.006
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.074
local terms energy: -60.454209
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -11.287
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: 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: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -100.708775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.708775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.708775 (E_RNA)
where:
Base-Base interactions energy: -43.777
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.177
local terms energy: -56.754721
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -5.786
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: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -88.593246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.593246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.593246 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -30.453
Base-Backbone interact. energy: -0.003
local terms energy: -57.980941
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -9.820
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: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -86.143563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.143563 (E_RNA)
where:
Base-Base interactions energy: -30.661
where: short stacking energy: -30.252
Base-Backbone interact. energy: -0.051
local terms energy: -55.431166
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -215.982567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.982567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.982567 (E_RNA)
where:
Base-Base interactions energy: -130.554
where: short stacking energy: -74.206
Base-Backbone interact. energy: -0.002
local terms energy: -85.426896
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -23.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -171.153890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.153890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.153890 (E_RNA)
where:
Base-Base interactions energy: -110.104
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.005
local terms energy: -61.045689
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -12.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -111.408638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.408638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.408638 (E_RNA)
where:
Base-Base interactions energy: -52.329
where: short stacking energy: -37.577
Base-Backbone interact. energy: -1.147
local terms energy: -57.932203
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -87.335611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.335611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.335611 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -25.647
Base-Backbone interact. energy: -0.267
local terms energy: -57.406030
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -7.105
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: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -98.383951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.383951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.383951 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -39.957
Base-Backbone interact. energy: -0.129
local terms energy: -58.297944
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 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: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -84.179796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.179796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.179796 (E_RNA)
where:
Base-Base interactions energy: -28.143
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.469
local terms energy: -55.567927
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -210.017419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.017419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.017419 (E_RNA)
where:
Base-Base interactions energy: -127.745
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.130
local terms energy: -82.142651
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -216.432025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.432025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.432025 (E_RNA)
where:
Base-Base interactions energy: -139.518
where: short stacking energy: -62.218
Base-Backbone interact. energy: -0.009
local terms energy: -76.905037
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -185.862863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.862863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.862863 (E_RNA)
where:
Base-Base interactions energy: -113.422
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.013
local terms energy: -72.428031
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -111.715571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.715571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.715571 (E_RNA)
where:
Base-Base interactions energy: -55.615
where: short stacking energy: -31.123
Base-Backbone interact. energy: -2.321
local terms energy: -53.779849
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -97.451556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.451556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.451556 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -38.009
Base-Backbone interact. energy: -0.039
local terms energy: -54.037462
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -81.085040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.085040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.085040 (E_RNA)
where:
Base-Base interactions energy: -30.473
where: short stacking energy: -30.473
Base-Backbone interact. energy: -0.640
local terms energy: -49.972434
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -89.000192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.000192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.000192 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -36.131
Base-Backbone interact. energy: -0.085
local terms energy: -52.784582
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -223.599463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.599463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.599463 (E_RNA)
where:
Base-Base interactions energy: -150.857
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.072
local terms energy: -72.670735
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -213.194509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.194509 (E_RNA)
where:
Base-Base interactions energy: -131.841
where: short stacking energy: -69.561
Base-Backbone interact. energy: 1.866
local terms energy: -83.219626
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -197.657873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.657873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.657873 (E_RNA)
where:
Base-Base interactions energy: -115.950
where: short stacking energy: -64.811
Base-Backbone interact. energy: -0.239
local terms energy: -81.468359
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -177.303303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.303303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.303303 (E_RNA)
where:
Base-Base interactions energy: -108.837
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.336
local terms energy: -68.130320
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -101.266161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.266161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.266161 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -34.097
Base-Backbone interact. energy: -0.159
local terms energy: -66.229133
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -11.919
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: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -103.735484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.735484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.735484 (E_RNA)
where:
Base-Base interactions energy: -45.584
where: short stacking energy: -45.584
Base-Backbone interact. energy: -0.318
local terms energy: -57.833523
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -125.311620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.311620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.311620 (E_RNA)
where:
Base-Base interactions energy: -60.850
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.046
local terms energy: -64.415573
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -91.552704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.552704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.552704 (E_RNA)
where:
Base-Base interactions energy: -44.756
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.270
local terms energy: -46.525909
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -8.613
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: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -87.607416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.607416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.607416 (E_RNA)
where:
Base-Base interactions energy: -36.792
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.883
local terms energy: -49.932173
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -230.473300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.473300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.473300 (E_RNA)
where:
Base-Base interactions energy: -150.571
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.029
local terms energy: -79.872501
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -201.073479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.073479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.073479 (E_RNA)
where:
Base-Base interactions energy: -128.245
where: short stacking energy: -73.109
Base-Backbone interact. energy: -0.175
local terms energy: -72.652712
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -18.245
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: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -212.168644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.168644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.168644 (E_RNA)
where:
Base-Base interactions energy: -138.500
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.218
local terms energy: -73.450852
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.789
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: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -165.906534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.906534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.906534 (E_RNA)
where:
Base-Base interactions energy: -100.091
where: short stacking energy: -58.957
Base-Backbone interact. energy: -0.098
local terms energy: -65.717196
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -10.471
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: 8
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -126.479939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.479939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.479939 (E_RNA)
where:
Base-Base interactions energy: -60.989
where: short stacking energy: -48.651
Base-Backbone interact. energy: -0.703
local terms energy: -64.788318
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -101.560612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.560612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.560612 (E_RNA)
where:
Base-Base interactions energy: -39.575
where: short stacking energy: -24.245
Base-Backbone interact. energy: -0.465
local terms energy: -61.520560
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.649
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: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -117.046011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.046011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.046011 (E_RNA)
where:
Base-Base interactions energy: -71.886
where: short stacking energy: -38.270
Base-Backbone interact. energy: -0.743
local terms energy: -44.416624
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -6.966
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -89.458003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.458003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.458003 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -30.003
Base-Backbone interact. energy: -0.434
local terms energy: -56.204534
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.358
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: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -79.140104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.140104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.140104 (E_RNA)
where:
Base-Base interactions energy: -26.400
where: short stacking energy: -20.312
Base-Backbone interact. energy: -0.099
local terms energy: -52.641089
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -1.655
tors. eta vs tors. theta energy: -1.715
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: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -231.924863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.924863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.924863 (E_RNA)
where:
Base-Base interactions energy: -156.636
where: short stacking energy: -72.459
Base-Backbone interact. energy: -0.081
local terms energy: -75.208425
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -216.505482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.505482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.505482 (E_RNA)
where:
Base-Base interactions energy: -141.478
where: short stacking energy: -67.922
Base-Backbone interact. energy: -2.092
local terms energy: -72.935313
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -193.565307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.565307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.565307 (E_RNA)
where:
Base-Base interactions energy: -125.967
where: short stacking energy: -68.504
Base-Backbone interact. energy: -0.080
local terms energy: -67.519018
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -13.205
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: 12
Temperature: 1.050000
Total energy: -185.608622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.608622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.608622 (E_RNA)
where:
Base-Base interactions energy: -110.887
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.002
local terms energy: -74.720127
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -133.950615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.950615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.950615 (E_RNA)
where:
Base-Base interactions energy: -70.964
where: short stacking energy: -57.361
Base-Backbone interact. energy: -0.246
local terms energy: -62.740230
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -128.933904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.933904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.933904 (E_RNA)
where:
Base-Base interactions energy: -58.021
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.095
local terms energy: -70.818884
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.306
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: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -104.562737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.562737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.562737 (E_RNA)
where:
Base-Base interactions energy: -45.612
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.399
local terms energy: -58.551962
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -86.883644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.883644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.883644 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -28.471
Base-Backbone interact. energy: 0.661
local terms energy: -51.807211
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -7.914
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: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -83.643338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.643338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.643338 (E_RNA)
where:
Base-Base interactions energy: -29.316
where: short stacking energy: -29.316
Base-Backbone interact. energy: -0.073
local terms energy: -54.254123
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -82.299619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.299619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.299619 (E_RNA)
where:
Base-Base interactions energy: -32.339
where: short stacking energy: -29.667
Base-Backbone interact. energy: -0.189
local terms energy: -49.771462
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -239.370321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.370321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.370321 (E_RNA)
where:
Base-Base interactions energy: -159.521
where: short stacking energy: -72.504
Base-Backbone interact. energy: -2.728
local terms energy: -77.121822
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -219.558826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.558826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.558826 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.010
local terms energy: -79.498757
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -178.259842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.259842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.259842 (E_RNA)
where:
Base-Base interactions energy: -99.684
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.843
local terms energy: -77.732108
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.558
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -186.336731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.336731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.336731 (E_RNA)
where:
Base-Base interactions energy: -122.607
where: short stacking energy: -47.671
Base-Backbone interact. energy: -0.893
local terms energy: -62.837218
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -138.939361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.939361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.939361 (E_RNA)
where:
Base-Base interactions energy: -86.693
where: short stacking energy: -60.351
Base-Backbone interact. energy: 0.253
local terms energy: -52.499538
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -7.665
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -8.123
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: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -128.799032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.799032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.799032 (E_RNA)
where:
Base-Base interactions energy: -64.097
where: short stacking energy: -49.873
Base-Backbone interact. energy: -0.173
local terms energy: -64.528703
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -97.936323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.936323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.936323 (E_RNA)
where:
Base-Base interactions energy: -50.582
where: short stacking energy: -23.776
Base-Backbone interact. energy: -0.798
local terms energy: -46.555906
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: 0.074
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: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -97.117301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.117301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.117301 (E_RNA)
where:
Base-Base interactions energy: -44.402
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.550
local terms energy: -52.165423
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -7.079
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: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -107.154421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.154421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.154421 (E_RNA)
where:
Base-Base interactions energy: -53.199
where: short stacking energy: -34.506
Base-Backbone interact. energy: -0.132
local terms energy: -53.824202
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -5.357
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: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -80.901011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.901011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.901011 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.127
local terms energy: -53.884423
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -232.675650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.675650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.675650 (E_RNA)
where:
Base-Base interactions energy: -149.922
where: short stacking energy: -74.212
Base-Backbone interact. energy: -0.038
local terms energy: -82.715093
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -221.750263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.750263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.750263 (E_RNA)
where:
Base-Base interactions energy: -148.389
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.232
local terms energy: -73.129506
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -180.370484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370484 (E_RNA)
where:
Base-Base interactions energy: -107.552
where: short stacking energy: -53.301
Base-Backbone interact. energy: -0.029
local terms energy: -72.789267
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -175.889727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.889727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.889727 (E_RNA)
where:
Base-Base interactions energy: -97.717
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.081
local terms energy: -78.092189
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -126.563791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.563791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.563791 (E_RNA)
where:
Base-Base interactions energy: -73.274
where: short stacking energy: -38.653
Base-Backbone interact. energy: -1.862
local terms energy: -51.427939
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -3.958
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: 14
Temperature: 1.150000
Total energy: -118.796816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.796816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.796816 (E_RNA)
where:
Base-Base interactions energy: -58.285
where: short stacking energy: -34.539
Base-Backbone interact. energy: -1.231
local terms energy: -59.280658
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -96.518187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.518187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.518187 (E_RNA)
where:
Base-Base interactions energy: -40.473
where: short stacking energy: -40.473
Base-Backbone interact. energy: -0.214
local terms energy: -55.831188
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -94.283570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.283570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.283570 (E_RNA)
where:
Base-Base interactions energy: -38.156
where: short stacking energy: -29.427
Base-Backbone interact. energy: 0.806
local terms energy: -56.933437
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -94.468699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.468699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.468699 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.173
local terms energy: -52.062327
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -5.494
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: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -85.095897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.095897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.095897 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -27.195
Base-Backbone interact. energy: -0.051
local terms energy: -53.678754
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -222.796023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.796023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.796023 (E_RNA)
where:
Base-Base interactions energy: -145.243
where: short stacking energy: -58.191
Base-Backbone interact. energy: -1.182
local terms energy: -76.370947
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -18.402
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: 15
Temperature: 0.950000
Total energy: -221.022393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.022393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.022393 (E_RNA)
where:
Base-Base interactions energy: -140.761
where: short stacking energy: -72.177
Base-Backbone interact. energy: -0.118
local terms energy: -80.143150
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -199.550686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.550686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.550686 (E_RNA)
where:
Base-Base interactions energy: -117.680
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.001
local terms energy: -81.869735
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -173.744571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.744571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.744571 (E_RNA)
where:
Base-Base interactions energy: -98.294
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.856
local terms energy: -74.594582
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -141.077521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.077521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.077521 (E_RNA)
where:
Base-Base interactions energy: -77.291
where: short stacking energy: -46.587
Base-Backbone interact. energy: -0.145
local terms energy: -63.641087
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -10.419
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: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -111.537116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.537116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.537116 (E_RNA)
where:
Base-Base interactions energy: -51.136
where: short stacking energy: -51.136
Base-Backbone interact. energy: -0.034
local terms energy: -60.366556
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -7.662
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: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -117.176162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.176162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.176162 (E_RNA)
where:
Base-Base interactions energy: -51.365
where: short stacking energy: -28.274
Base-Backbone interact. energy: -0.191
local terms energy: -65.621158
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -91.476224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.476224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.476224 (E_RNA)
where:
Base-Base interactions energy: -27.901
where: short stacking energy: -27.901
Base-Backbone interact. energy: 0.836
local terms energy: -64.411675
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -83.300922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300922 (E_RNA)
where:
Base-Base interactions energy: -29.009
where: short stacking energy: -29.009
Base-Backbone interact. energy: -0.015
local terms energy: -54.276186
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -90.850662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.850662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.850662 (E_RNA)
where:
Base-Base interactions energy: -41.931
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.930
local terms energy: -47.989943
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -11.175
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -223.297170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.297170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.297170 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -75.339
Base-Backbone interact. energy: -0.005
local terms energy: -81.677326
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -219.905396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.905396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.905396 (E_RNA)
where:
Base-Base interactions energy: -141.410
where: short stacking energy: -64.061
Base-Backbone interact. energy: -0.670
local terms energy: -77.824782
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -197.667241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.667241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.667241 (E_RNA)
where:
Base-Base interactions energy: -120.725
where: short stacking energy: -68.859
Base-Backbone interact. energy: -0.776
local terms energy: -76.166271
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -188.703659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.703659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.703659 (E_RNA)
where:
Base-Base interactions energy: -112.838
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.026
local terms energy: -75.840358
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -113.619094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.619094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.619094 (E_RNA)
where:
Base-Base interactions energy: -42.336
where: short stacking energy: -42.336
Base-Backbone interact. energy: -0.055
local terms energy: -71.228333
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -12.423
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: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -125.286150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.286150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.286150 (E_RNA)
where:
Base-Base interactions energy: -56.351
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.086
local terms energy: -68.848636
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -11.293
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -103.851541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.851541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.851541 (E_RNA)
where:
Base-Base interactions energy: -41.906
where: short stacking energy: -41.906
Base-Backbone interact. energy: -0.104
local terms energy: -61.841586
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -92.097729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.097729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.097729 (E_RNA)
where:
Base-Base interactions energy: -42.451
where: short stacking energy: -25.505
Base-Backbone interact. energy: 2.668
local terms energy: -52.314724
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -96.961959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.961959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.961959 (E_RNA)
where:
Base-Base interactions energy: -55.045
where: short stacking energy: -29.731
Base-Backbone interact. energy: -1.314
local terms energy: -40.603250
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.142808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.142808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.142808 (E_RNA)
where:
Base-Base interactions energy: -30.487
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.143
local terms energy: -53.513565
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -216.376877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.376877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.376877 (E_RNA)
where:
Base-Base interactions energy: -131.561
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.576
local terms energy: -84.239776
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -206.319959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.319959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.319959 (E_RNA)
where:
Base-Base interactions energy: -127.582
where: short stacking energy: -73.919
Base-Backbone interact. energy: -0.118
local terms energy: -78.620267
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -215.988624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.988624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.988624 (E_RNA)
where:
Base-Base interactions energy: -136.257
where: short stacking energy: -62.932
Base-Backbone interact. energy: -0.049
local terms energy: -79.682531
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -190.021638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.021638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.021638 (E_RNA)
where:
Base-Base interactions energy: -123.338
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.006
local terms energy: -66.677146
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -105.926602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.926602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.926602 (E_RNA)
where:
Base-Base interactions energy: -49.390
where: short stacking energy: -45.325
Base-Backbone interact. energy: 0.257
local terms energy: -56.793936
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -128.424984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.424984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.424984 (E_RNA)
where:
Base-Base interactions energy: -63.653
where: short stacking energy: -42.639
Base-Backbone interact. energy: 0.120
local terms energy: -64.892268
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -10.979
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: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -104.645703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.645703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.645703 (E_RNA)
where:
Base-Base interactions energy: -55.680
where: short stacking energy: -45.083
Base-Backbone interact. energy: -0.011
local terms energy: -48.954644
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -105.764070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.764070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.764070 (E_RNA)
where:
Base-Base interactions energy: -47.765
where: short stacking energy: -36.497
Base-Backbone interact. energy: -0.145
local terms energy: -57.853123
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -83.982801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.982801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.982801 (E_RNA)
where:
Base-Base interactions energy: -33.513
where: short stacking energy: -31.317
Base-Backbone interact. energy: 0.381
local terms energy: -50.850838
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -84.615540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.615540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.615540 (E_RNA)
where:
Base-Base interactions energy: -29.616
where: short stacking energy: -29.616
Base-Backbone interact. energy: -0.005
local terms energy: -54.993849
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -212.987250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.987250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.987250 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.600
local terms energy: -80.627290
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -10.614
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -203.219389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.219389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.219389 (E_RNA)
where:
Base-Base interactions energy: -135.881
where: short stacking energy: -57.005
Base-Backbone interact. energy: 1.393
local terms energy: -68.731128
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -198.186854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.186854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.186854 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.113
local terms energy: -73.502025
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -192.474976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.474976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.474976 (E_RNA)
where:
Base-Base interactions energy: -123.141
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.010
local terms energy: -69.324144
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -116.529674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.529674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.529674 (E_RNA)
where:
Base-Base interactions energy: -54.951
where: short stacking energy: -42.964
Base-Backbone interact. energy: 0.148
local terms energy: -61.727285
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.999
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: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -104.694944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.694944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.694944 (E_RNA)
where:
Base-Base interactions energy: -37.286
where: short stacking energy: -35.196
Base-Backbone interact. energy: -0.183
local terms energy: -67.226197
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -97.249267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.249267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.249267 (E_RNA)
where:
Base-Base interactions energy: -37.900
where: short stacking energy: -37.658
Base-Backbone interact. energy: 2.724
local terms energy: -62.073298
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -102.185102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.185102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.185102 (E_RNA)
where:
Base-Base interactions energy: -43.952
where: short stacking energy: -42.609
Base-Backbone interact. energy: -0.193
local terms energy: -58.039795
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -9.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -81.749216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.749216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.749216 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.782
local terms energy: -46.386221
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -8.002
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -82.565424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.565424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.565424 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.398
local terms energy: -53.456345
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -6.008
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: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -207.898929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.898929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.898929 (E_RNA)
where:
Base-Base interactions energy: -132.812
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.003
local terms energy: -75.084247
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -199.761511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.761511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.761511 (E_RNA)
where:
Base-Base interactions energy: -127.122
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.216
local terms energy: -72.423937
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -199.120040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.120040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.120040 (E_RNA)
where:
Base-Base interactions energy: -130.705
where: short stacking energy: -65.496
Base-Backbone interact. energy: -0.096
local terms energy: -68.319199
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -200.786163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.786163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.786163 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -68.901
Base-Backbone interact. energy: -0.013
local terms energy: -75.738198
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -123.308194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.308194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.308194 (E_RNA)
where:
Base-Base interactions energy: -53.463
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.143
local terms energy: -69.701983
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -11.070
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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -111.417990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.417990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.417990 (E_RNA)
where:
Base-Base interactions energy: -52.343
where: short stacking energy: -45.919
Base-Backbone interact. energy: 0.145
local terms energy: -59.219322
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -104.115596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.115596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.115596 (E_RNA)
where:
Base-Base interactions energy: -47.221
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.074
local terms energy: -56.820447
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -5.176
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -94.041985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.041985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.041985 (E_RNA)
where:
Base-Base interactions energy: -39.936
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.140
local terms energy: -53.965904
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: 2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -92.349385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.349385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.349385 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.242
local terms energy: -50.549970
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -6.423
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: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -86.013279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.013279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.013279 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -26.399
Base-Backbone interact. energy: -0.318
local terms energy: -53.966101
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -223.068164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.068164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.068164 (E_RNA)
where:
Base-Base interactions energy: -144.930
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.006
local terms energy: -78.132296
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -205.853496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.853496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.853496 (E_RNA)
where:
Base-Base interactions energy: -126.545
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.242
local terms energy: -79.067089
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -5.755
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: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -241.972808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.972808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.972808 (E_RNA)
where:
Base-Base interactions energy: -170.691
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.368
local terms energy: -70.913158
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -182.813411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.813411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.813411 (E_RNA)
where:
Base-Base interactions energy: -111.003
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.008
local terms energy: -71.802207
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -120.248363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.248363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.248363 (E_RNA)
where:
Base-Base interactions energy: -64.033
where: short stacking energy: -34.277
Base-Backbone interact. energy: -0.546
local terms energy: -55.669667
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -130.213851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.213851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.213851 (E_RNA)
where:
Base-Base interactions energy: -64.797
where: short stacking energy: -47.109
Base-Backbone interact. energy: -1.172
local terms energy: -64.244950
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -97.911568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.911568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.911568 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -37.380
Base-Backbone interact. energy: -0.197
local terms energy: -60.334100
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -4.029
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: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -113.909813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.909813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.909813 (E_RNA)
where:
Base-Base interactions energy: -58.163
where: short stacking energy: -43.920
Base-Backbone interact. energy: -0.395
local terms energy: -55.352193
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -89.292052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.292052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.292052 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -36.214
Base-Backbone interact. energy: -0.060
local terms energy: -53.018119
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -90.416856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.416856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.416856 (E_RNA)
where:
Base-Base interactions energy: -38.743
where: short stacking energy: -22.559
Base-Backbone interact. energy: -0.546
local terms energy: -51.127636
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -223.583794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.583794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.583794 (E_RNA)
where:
Base-Base interactions energy: -140.278
where: short stacking energy: -69.949
Base-Backbone interact. energy: -0.042
local terms energy: -83.264572
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -209.010175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.010175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.010175 (E_RNA)
where:
Base-Base interactions energy: -129.580
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.182
local terms energy: -79.247592
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -202.048478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.048478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.048478 (E_RNA)
where:
Base-Base interactions energy: -120.761
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.012
local terms energy: -81.275981
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -196.179122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.179122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.179122 (E_RNA)
where:
Base-Base interactions energy: -118.909
where: short stacking energy: -67.974
Base-Backbone interact. energy: -1.422
local terms energy: -75.847669
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -117.938695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.938695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.938695 (E_RNA)
where:
Base-Base interactions energy: -49.571
where: short stacking energy: -41.328
Base-Backbone interact. energy: -0.129
local terms energy: -68.238261
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -111.540628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.540628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.540628 (E_RNA)
where:
Base-Base interactions energy: -48.938
where: short stacking energy: -48.938
Base-Backbone interact. energy: -0.112
local terms energy: -62.490828
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -100.488393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.488393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.488393 (E_RNA)
where:
Base-Base interactions energy: -52.931
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.153
local terms energy: -47.404196
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -86.137498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.137498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.137498 (E_RNA)
where:
Base-Base interactions energy: -26.165
where: short stacking energy: -15.678
Base-Backbone interact. energy: -0.879
local terms energy: -59.093868
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -92.698974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.698974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.698974 (E_RNA)
where:
Base-Base interactions energy: -42.570
where: short stacking energy: -41.430
Base-Backbone interact. energy: -0.277
local terms energy: -49.852317
where:
bonds (distance) C4'-P energy: -7.745
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -10.713
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: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -76.363187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.363187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.363187 (E_RNA)
where:
Base-Base interactions energy: -22.489
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.632
local terms energy: -53.242280
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: 4.243
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: 22
Temperature: 0.900000
Total energy: -230.345548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.345548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.345548 (E_RNA)
where:
Base-Base interactions energy: -146.313
where: short stacking energy: -73.976
Base-Backbone interact. energy: -0.026
local terms energy: -84.005681
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -215.833145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.833145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.833145 (E_RNA)
where:
Base-Base interactions energy: -136.976
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.140
local terms energy: -78.717607
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -20.620
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: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -194.090110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.090110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.090110 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.014
local terms energy: -67.765241
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -172.597333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.597333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.597333 (E_RNA)
where:
Base-Base interactions energy: -97.496
where: short stacking energy: -64.947
Base-Backbone interact. energy: -1.438
local terms energy: -73.663344
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -141.957953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.957953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.957953 (E_RNA)
where:
Base-Base interactions energy: -89.804
where: short stacking energy: -42.985
Base-Backbone interact. energy: -0.069
local terms energy: -52.084689
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -6.157
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: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -111.265594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.265594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.265594 (E_RNA)
where:
Base-Base interactions energy: -50.335
where: short stacking energy: -43.768
Base-Backbone interact. energy: -0.074
local terms energy: -60.856368
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -102.328371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.328371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.328371 (E_RNA)
where:
Base-Base interactions energy: -48.255
where: short stacking energy: -29.254
Base-Backbone interact. energy: 0.926
local terms energy: -54.999471
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -2.640
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: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -109.195709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.195709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.195709 (E_RNA)
where:
Base-Base interactions energy: -46.711
where: short stacking energy: -45.216
Base-Backbone interact. energy: -0.510
local terms energy: -61.974934
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -81.176563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.176563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.176563 (E_RNA)
where:
Base-Base interactions energy: -25.599
where: short stacking energy: -26.399
Base-Backbone interact. energy: -0.205
local terms energy: -55.372836
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -101.468618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.468618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.468618 (E_RNA)
where:
Base-Base interactions energy: -46.192
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.152
local terms energy: -55.125015
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -234.600947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.600947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.600947 (E_RNA)
where:
Base-Base interactions energy: -145.631
where: short stacking energy: -69.134
Base-Backbone interact. energy: -0.001
local terms energy: -88.969164
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -221.947810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.947810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.947810 (E_RNA)
where:
Base-Base interactions energy: -149.320
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.865
local terms energy: -71.762789
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -183.602715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.602715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.602715 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -66.841
Base-Backbone interact. energy: -0.095
local terms energy: -63.988237
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.284
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: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -189.905481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.905481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.905481 (E_RNA)
where:
Base-Base interactions energy: -112.333
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.001
local terms energy: -77.570563
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -11.979
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: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -136.800135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.800135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.800135 (E_RNA)
where:
Base-Base interactions energy: -60.092
where: short stacking energy: -50.174
Base-Backbone interact. energy: -0.196
local terms energy: -76.512573
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -109.609228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.609228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.609228 (E_RNA)
where:
Base-Base interactions energy: -49.296
where: short stacking energy: -39.560
Base-Backbone interact. energy: -0.009
local terms energy: -60.304582
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -96.087764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.087764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.087764 (E_RNA)
where:
Base-Base interactions energy: -42.628
where: short stacking energy: -41.699
Base-Backbone interact. energy: 1.878
local terms energy: -55.337038
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -100.328642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.328642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.328642 (E_RNA)
where:
Base-Base interactions energy: -34.779
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.061
local terms energy: -65.489076
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -120.896501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.896501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.896501 (E_RNA)
where:
Base-Base interactions energy: -59.968
where: short stacking energy: -34.188
Base-Backbone interact. energy: -0.370
local terms energy: -60.558432
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -92.460653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.460653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.460653 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -32.612
Base-Backbone interact. energy: -0.046
local terms energy: -58.518045
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -229.097217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.097217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.097217 (E_RNA)
where:
Base-Base interactions energy: -150.230
where: short stacking energy: -68.511
Base-Backbone interact. energy: 0.789
local terms energy: -79.655873
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -203.481090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.481090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.481090 (E_RNA)
where:
Base-Base interactions energy: -128.959
where: short stacking energy: -58.518
Base-Backbone interact. energy: 0.188
local terms energy: -74.709823
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -188.597995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.597995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.597995 (E_RNA)
where:
Base-Base interactions energy: -109.908
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.167
local terms energy: -78.522938
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -193.137795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.137795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.137795 (E_RNA)
where:
Base-Base interactions energy: -123.887
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.052
local terms energy: -69.198362
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -125.820154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.820154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.820154 (E_RNA)
where:
Base-Base interactions energy: -51.024
where: short stacking energy: -51.024
Base-Backbone interact. energy: -0.001
local terms energy: -74.794996
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -126.110709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.110709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.110709 (E_RNA)
where:
Base-Base interactions energy: -62.377
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.118
local terms energy: -63.616183
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.310
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: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -89.140659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.140659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.140659 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -30.068
Base-Backbone interact. energy: -0.507
local terms energy: -52.550964
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -89.563893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.563893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.563893 (E_RNA)
where:
Base-Base interactions energy: -34.491
where: short stacking energy: -28.910
Base-Backbone interact. energy: -1.893
local terms energy: -53.180119
where:
bonds (distance) C4'-P energy: -7.448
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -111.909471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.909471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.909471 (E_RNA)
where:
Base-Base interactions energy: -64.449
where: short stacking energy: -36.623
Base-Backbone interact. energy: -0.202
local terms energy: -47.258950
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -83.136542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136542 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -28.078
Base-Backbone interact. energy: -0.006
local terms energy: -55.252212
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -227.646646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.646646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.646646 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -68.081
Base-Backbone interact. energy: -0.148
local terms energy: -83.301065
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -205.862535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.862535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.862535 (E_RNA)
where:
Base-Base interactions energy: -139.458
where: short stacking energy: -52.370
Base-Backbone interact. energy: -0.200
local terms energy: -66.203906
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -11.843
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: 25
Temperature: 1.000000
Total energy: -183.475265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.475265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.475265 (E_RNA)
where:
Base-Base interactions energy: -111.417
where: short stacking energy: -66.542
Base-Backbone interact. energy: 1.301
local terms energy: -73.358592
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -193.980468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.980468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.980468 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.005
local terms energy: -68.889447
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -15.037
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: 25
Temperature: 1.100000
Total energy: -105.692048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.692048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.692048 (E_RNA)
where:
Base-Base interactions energy: -46.764
where: short stacking energy: -46.764
Base-Backbone interact. energy: -0.001
local terms energy: -58.927625
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -107.613393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.613393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.613393 (E_RNA)
where:
Base-Base interactions energy: -41.109
where: short stacking energy: -37.821
Base-Backbone interact. energy: -0.088
local terms energy: -66.417093
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -102.958172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.958172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.958172 (E_RNA)
where:
Base-Base interactions energy: -45.418
where: short stacking energy: -45.418
Base-Backbone interact. energy: -0.053
local terms energy: -57.487444
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -95.909179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.909179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.909179 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.083
local terms energy: -61.273328
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -94.936455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.936455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.936455 (E_RNA)
where:
Base-Base interactions energy: -39.221
where: short stacking energy: -24.748
Base-Backbone interact. energy: -0.520
local terms energy: -55.195551
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -87.625827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.625827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.625827 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -30.338
Base-Backbone interact. energy: -0.052
local terms energy: -56.444764
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -228.017301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.017301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.017301 (E_RNA)
where:
Base-Base interactions energy: -142.071
where: short stacking energy: -74.786
Base-Backbone interact. energy: -0.124
local terms energy: -85.822185
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -20.489
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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -222.504345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.504345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.504345 (E_RNA)
where:
Base-Base interactions energy: -145.270
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.147
local terms energy: -77.086591
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -191.136534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.136534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.136534 (E_RNA)
where:
Base-Base interactions energy: -119.461
where: short stacking energy: -56.812
Base-Backbone interact. energy: -0.106
local terms energy: -71.569534
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -188.652773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.652773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.652773 (E_RNA)
where:
Base-Base interactions energy: -114.703
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.183
local terms energy: -73.767328
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -11.180
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: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -100.586229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.586229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.586229 (E_RNA)
where:
Base-Base interactions energy: -37.858
where: short stacking energy: -37.858
Base-Backbone interact. energy: -0.124
local terms energy: -62.604344
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -13.155
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: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -113.756679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.756679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.756679 (E_RNA)
where:
Base-Base interactions energy: -46.763
where: short stacking energy: -37.142
Base-Backbone interact. energy: 0.239
local terms energy: -67.233177
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -102.423981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.423981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.423981 (E_RNA)
where:
Base-Base interactions energy: -42.223
where: short stacking energy: -29.077
Base-Backbone interact. energy: -0.008
local terms energy: -60.193439
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -99.291705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.291705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.291705 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -42.633
Base-Backbone interact. energy: -0.165
local terms energy: -56.494131
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -2.244
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -89.553329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.553329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.553329 (E_RNA)
where:
Base-Base interactions energy: -30.352
where: short stacking energy: -29.614
Base-Backbone interact. energy: 0.032
local terms energy: -59.232612
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.784
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: 2
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -87.193520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.193520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.193520 (E_RNA)
where:
Base-Base interactions energy: -36.099
where: short stacking energy: -34.665
Base-Backbone interact. energy: -0.179
local terms energy: -50.915455
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -214.745392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.745392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.745392 (E_RNA)
where:
Base-Base interactions energy: -133.828
where: short stacking energy: -68.307
Base-Backbone interact. energy: -0.512
local terms energy: -80.405204
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -216.367287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.367287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.367287 (E_RNA)
where:
Base-Base interactions energy: -137.387
where: short stacking energy: -70.574
Base-Backbone interact. energy: -0.085
local terms energy: -78.895349
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.060
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: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -199.056258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.056258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.056258 (E_RNA)
where:
Base-Base interactions energy: -117.354
where: short stacking energy: -65.085
Base-Backbone interact. energy: -0.163
local terms energy: -81.539159
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -6.596
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: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -128.101370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.101370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.101370 (E_RNA)
where:
Base-Base interactions energy: -62.951
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.163
local terms energy: -64.987413
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -183.149717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.149717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.149717 (E_RNA)
where:
Base-Base interactions energy: -110.212
where: short stacking energy: -65.882
Base-Backbone interact. energy: 0.772
local terms energy: -73.709129
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -96.552685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552685 (E_RNA)
where:
Base-Base interactions energy: -39.196
where: short stacking energy: -34.810
Base-Backbone interact. energy: 0.635
local terms energy: -57.991725
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -100.013388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.013388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.013388 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -38.037
Base-Backbone interact. energy: -0.078
local terms energy: -59.480740
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -99.130433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.130433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.130433 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -31.087
Base-Backbone interact. energy: -2.265
local terms energy: -52.923531
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -6.396
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: 1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -86.092282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092282 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -31.544
Base-Backbone interact. energy: 0.130
local terms energy: -50.015682
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -6.756
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -1.034
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: 2
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -87.552731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.552731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.552731 (E_RNA)
where:
Base-Base interactions energy: -27.400
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.259
local terms energy: -59.893565
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -217.231631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.231631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.231631 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -56.320
Base-Backbone interact. energy: -0.134
local terms energy: -72.901773
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.656
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: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -204.022977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.022977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.022977 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.006
local terms energy: -79.091142
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -21.469
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: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -188.460918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.460918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.460918 (E_RNA)
where:
Base-Base interactions energy: -121.286
where: short stacking energy: -61.629
Base-Backbone interact. energy: 0.235
local terms energy: -67.409717
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -10.525
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: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -116.887470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.887470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.887470 (E_RNA)
where:
Base-Base interactions energy: -51.638
where: short stacking energy: -46.246
Base-Backbone interact. energy: -0.186
local terms energy: -65.064128
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.426
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: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -175.425064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.425064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.425064 (E_RNA)
where:
Base-Base interactions energy: -103.339
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.203
local terms energy: -71.882769
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -16.183
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: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -104.449060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.449060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.449060 (E_RNA)
where:
Base-Base interactions energy: -51.520
where: short stacking energy: -39.198
Base-Backbone interact. energy: -0.166
local terms energy: -52.762911
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -4.230
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: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -98.255962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.255962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.255962 (E_RNA)
where:
Base-Base interactions energy: -43.417
where: short stacking energy: -38.483
Base-Backbone interact. energy: -0.007
local terms energy: -54.831834
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -3.610
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: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -125.906796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.906796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.906796 (E_RNA)
where:
Base-Base interactions energy: -61.207
where: short stacking energy: -43.010
Base-Backbone interact. energy: -0.156
local terms energy: -64.543717
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -92.233182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.233182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.233182 (E_RNA)
where:
Base-Base interactions energy: -46.942
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.107
local terms energy: -45.183854
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -80.908230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908230 (E_RNA)
where:
Base-Base interactions energy: -21.483
where: short stacking energy: -20.727
Base-Backbone interact. energy: -0.070
local terms energy: -59.355506
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -223.467044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.467044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467044 (E_RNA)
where:
Base-Base interactions energy: -145.993
where: short stacking energy: -65.008
Base-Backbone interact. energy: -0.002
local terms energy: -77.471377
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -17.731
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: 29
Temperature: 0.950000
Total energy: -216.094922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.094922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.094922 (E_RNA)
where:
Base-Base interactions energy: -149.525
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.005
local terms energy: -66.564189
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -16.268
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: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -225.335348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.335348 (E_RNA)
where:
Base-Base interactions energy: -161.965
where: short stacking energy: -60.497
Base-Backbone interact. energy: -0.858
local terms energy: -62.512363
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -11.447
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -176.269705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.269705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269705 (E_RNA)
where:
Base-Base interactions energy: -103.653
where: short stacking energy: -64.445
Base-Backbone interact. energy: -1.561
local terms energy: -71.055587
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.951
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: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -115.130069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.130069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.130069 (E_RNA)
where:
Base-Base interactions energy: -45.936
where: short stacking energy: -45.936
Base-Backbone interact. energy: -0.080
local terms energy: -69.114369
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -6.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -117.679470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.679470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.679470 (E_RNA)
where:
Base-Base interactions energy: -58.426
where: short stacking energy: -48.721
Base-Backbone interact. energy: 0.485
local terms energy: -59.737775
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -3.425
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -95.246322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.246322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.246322 (E_RNA)
where:
Base-Base interactions energy: -36.599
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.092
local terms energy: -58.555644
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -87.270669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.270669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.270669 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.116
local terms energy: -49.934201
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -88.534904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.534904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.534904 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.530
local terms energy: -47.996889
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -99.133932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.133932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.133932 (E_RNA)
where:
Base-Base interactions energy: -41.650
where: short stacking energy: -28.571
Base-Backbone interact. energy: 0.462
local terms energy: -57.945600
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -6.088
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: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -222.254927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.254927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.254927 (E_RNA)
where:
Base-Base interactions energy: -146.492
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.209
local terms energy: -75.553065
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -207.667198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.667198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.667198 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -60.756
Base-Backbone interact. energy: 0.817
local terms energy: -81.682179
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -218.309928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.309928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.309928 (E_RNA)
where:
Base-Base interactions energy: -155.372
where: short stacking energy: -50.277
Base-Backbone interact. energy: -0.950
local terms energy: -61.988680
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -9.920
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: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -177.887488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.887488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.887488 (E_RNA)
where:
Base-Base interactions energy: -103.917
where: short stacking energy: -56.290
Base-Backbone interact. energy: -0.369
local terms energy: -73.601830
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -99.067249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.067249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.067249 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.154
local terms energy: -63.560176
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -9.412
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: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -107.300192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.300192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.300192 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -39.350
Base-Backbone interact. energy: -0.830
local terms energy: -62.108948
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -95.111143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.111143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.111143 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.120
local terms energy: -56.467502
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -8.499
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: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -88.079569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.079569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.079569 (E_RNA)
where:
Base-Base interactions energy: -30.949
where: short stacking energy: -18.247
Base-Backbone interact. energy: -0.184
local terms energy: -56.946174
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: 1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -84.185364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.185364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.185364 (E_RNA)
where:
Base-Base interactions energy: -29.180
where: short stacking energy: -25.642
Base-Backbone interact. energy: -1.652
local terms energy: -53.353512
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -6.032
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -77.754355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.754355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.754355 (E_RNA)
where:
Base-Base interactions energy: -25.581
where: short stacking energy: -25.581
Base-Backbone interact. energy: 0.826
local terms energy: -52.999953
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -3.115
tors. eta vs tors. theta energy: -1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -222.606185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.606185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.606185 (E_RNA)
where:
Base-Base interactions energy: -148.958
where: short stacking energy: -69.970
Base-Backbone interact. energy: 1.958
local terms energy: -75.605661
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -222.641899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.641899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.641899 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.515
local terms energy: -75.201866
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -10.383
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: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -200.157663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.157663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.157663 (E_RNA)
where:
Base-Base interactions energy: -130.113
where: short stacking energy: -42.998
Base-Backbone interact. energy: -0.602
local terms energy: -69.442717
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -123.732160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.732160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.732160 (E_RNA)
where:
Base-Base interactions energy: -64.894
where: short stacking energy: -30.486
Base-Backbone interact. energy: 0.119
local terms energy: -58.957331
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -160.933975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.933975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.933975 (E_RNA)
where:
Base-Base interactions energy: -92.817
where: short stacking energy: -48.420
Base-Backbone interact. energy: -0.399
local terms energy: -67.718135
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -7.918
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: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -94.697733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.697733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.697733 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -34.368
Base-Backbone interact. energy: -0.218
local terms energy: -59.805315
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -108.751851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.751851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.751851 (E_RNA)
where:
Base-Base interactions energy: -42.949
where: short stacking energy: -42.949
Base-Backbone interact. energy: -0.751
local terms energy: -65.052268
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -90.062994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.062994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.062994 (E_RNA)
where:
Base-Base interactions energy: -37.693
where: short stacking energy: -27.635
Base-Backbone interact. energy: -0.033
local terms energy: -52.337032
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -100.471053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.471053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.471053 (E_RNA)
where:
Base-Base interactions energy: -46.444
where: short stacking energy: -30.471
Base-Backbone interact. energy: 1.335
local terms energy: -55.361724
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -85.066954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.066954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.066954 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.085
local terms energy: -52.318290
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -0.856
tors. eta vs tors. theta energy: -8.304
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: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -232.735375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.735375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.735375 (E_RNA)
where:
Base-Base interactions energy: -163.080
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.658
local terms energy: -68.997428
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -213.734955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.734955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.734955 (E_RNA)
where:
Base-Base interactions energy: -142.639
where: short stacking energy: -66.655
Base-Backbone interact. energy: -0.008
local terms energy: -71.088807
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -196.313964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.313964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.313964 (E_RNA)
where:
Base-Base interactions energy: -123.921
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.933
local terms energy: -71.459634
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -12.934
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: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -129.115991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.115991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.115991 (E_RNA)
where:
Base-Base interactions energy: -63.952
where: short stacking energy: -38.483
Base-Backbone interact. energy: -0.625
local terms energy: -64.538744
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -6.587
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: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -163.571034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.571034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.571034 (E_RNA)
where:
Base-Base interactions energy: -100.524
where: short stacking energy: -45.115
Base-Backbone interact. energy: -0.151
local terms energy: -62.896632
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -99.107818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.107818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.107818 (E_RNA)
where:
Base-Base interactions energy: -41.130
where: short stacking energy: -39.618
Base-Backbone interact. energy: -0.195
local terms energy: -57.782452
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -91.839835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.839835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.839835 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -39.175
Base-Backbone interact. energy: 0.705
local terms energy: -46.192912
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -0.884
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: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -110.029357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.029357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.029357 (E_RNA)
where:
Base-Base interactions energy: -56.934
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.139
local terms energy: -52.956398
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -78.650207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.650207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.650207 (E_RNA)
where:
Base-Base interactions energy: -29.335
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.307
local terms energy: -49.008264
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: 1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -86.903627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.903627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.903627 (E_RNA)
where:
Base-Base interactions energy: -26.213
where: short stacking energy: -25.641
Base-Backbone interact. energy: -0.116
local terms energy: -60.574760
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -5.031
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: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -244.057115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.057115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.057115 (E_RNA)
where:
Base-Base interactions energy: -159.013
where: short stacking energy: -77.552
Base-Backbone interact. energy: 0.036
local terms energy: -85.079612
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -20.200
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: 33
Temperature: 0.950000
Total energy: -212.346906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.346906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.346906 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -68.043
Base-Backbone interact. energy: -1.227
local terms energy: -76.323969
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -209.495146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.495146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.495146 (E_RNA)
where:
Base-Base interactions energy: -138.118
where: short stacking energy: -65.027
Base-Backbone interact. energy: -0.964
local terms energy: -70.412668
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -183.457161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.457161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.457161 (E_RNA)
where:
Base-Base interactions energy: -115.835
where: short stacking energy: -53.465
Base-Backbone interact. energy: -0.187
local terms energy: -67.434438
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -13.472
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: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -134.019816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.019816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.019816 (E_RNA)
where:
Base-Base interactions energy: -80.600
where: short stacking energy: -44.949
Base-Backbone interact. energy: 4.009
local terms energy: -57.429047
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.286
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: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -113.927025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.927025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.927025 (E_RNA)
where:
Base-Base interactions energy: -57.917
where: short stacking energy: -37.056
Base-Backbone interact. energy: -0.430
local terms energy: -55.579882
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -105.453896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.453896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.453896 (E_RNA)
where:
Base-Base interactions energy: -44.057
where: short stacking energy: -34.050
Base-Backbone interact. energy: -0.147
local terms energy: -61.249946
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -93.670533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.670533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.670533 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -38.887
Base-Backbone interact. energy: 0.712
local terms energy: -54.532684
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -9.410
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -95.628378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.628378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.628378 (E_RNA)
where:
Base-Base interactions energy: -43.770
where: short stacking energy: -35.237
Base-Backbone interact. energy: 0.689
local terms energy: -52.547409
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -8.066
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: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -81.359453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.359453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.359453 (E_RNA)
where:
Base-Base interactions energy: -27.971
where: short stacking energy: -24.999
Base-Backbone interact. energy: -0.547
local terms energy: -52.841233
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -238.623902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.623902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.623902 (E_RNA)
where:
Base-Base interactions energy: -161.871
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.531
local terms energy: -76.222412
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -206.091152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.091152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.091152 (E_RNA)
where:
Base-Base interactions energy: -134.938
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.119
local terms energy: -71.035068
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -8.628
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: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -196.617832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.617832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617832 (E_RNA)
where:
Base-Base interactions energy: -120.788
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.252
local terms energy: -75.577890
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -17.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -201.078700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.078700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.078700 (E_RNA)
where:
Base-Base interactions energy: -132.515
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.018
local terms energy: -68.544993
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -112.262709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.262709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.262709 (E_RNA)
where:
Base-Base interactions energy: -55.785
where: short stacking energy: -53.317
Base-Backbone interact. energy: -0.211
local terms energy: -56.266730
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -10.791
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -131.199335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.199335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.199335 (E_RNA)
where:
Base-Base interactions energy: -75.901
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.188
local terms energy: -55.109805
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -94.569649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.569649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.569649 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -37.269
Base-Backbone interact. energy: -0.158
local terms energy: -57.142931
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -7.834
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -87.904068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904068 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -27.275
Base-Backbone interact. energy: -1.055
local terms energy: -58.454029
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -86.112019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.112019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.112019 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -26.932
Base-Backbone interact. energy: -0.990
local terms energy: -55.561297
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -5.096
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: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -80.529215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.529215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.529215 (E_RNA)
where:
Base-Base interactions energy: -23.039
where: short stacking energy: -22.298
Base-Backbone interact. energy: -0.134
local terms energy: -57.355944
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -245.555372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.555372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.555372 (E_RNA)
where:
Base-Base interactions energy: -164.346
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.196
local terms energy: -81.013519
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -187.818768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.818768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.818768 (E_RNA)
where:
Base-Base interactions energy: -113.989
where: short stacking energy: -74.193
Base-Backbone interact. energy: -0.033
local terms energy: -73.796614
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -8.689
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: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -197.134043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.134043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.134043 (E_RNA)
where:
Base-Base interactions energy: -116.360
where: short stacking energy: -70.629
Base-Backbone interact. energy: -0.333
local terms energy: -80.441037
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -193.316998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.316998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.316998 (E_RNA)
where:
Base-Base interactions energy: -129.600
where: short stacking energy: -61.878
Base-Backbone interact. energy: -0.510
local terms energy: -63.207211
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -12.106
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -115.027496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.027496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.027496 (E_RNA)
where:
Base-Base interactions energy: -47.694
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.053
local terms energy: -67.281160
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.176
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: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -114.930609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.930609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.930609 (E_RNA)
where:
Base-Base interactions energy: -42.653
where: short stacking energy: -42.653
Base-Backbone interact. energy: 0.176
local terms energy: -72.452835
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -104.344904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.344904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.344904 (E_RNA)
where:
Base-Base interactions energy: -51.182
where: short stacking energy: -51.182
Base-Backbone interact. energy: 1.226
local terms energy: -54.389342
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -85.483539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.483539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.483539 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -27.035
Base-Backbone interact. energy: -0.434
local terms energy: -55.527970
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.294
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -84.227272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.227272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.227272 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -28.515
Base-Backbone interact. energy: -0.187
local terms energy: -51.775145
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -87.098616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.098616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.098616 (E_RNA)
where:
Base-Base interactions energy: -39.569
where: short stacking energy: -25.883
Base-Backbone interact. energy: 0.464
local terms energy: -47.993552
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -7.725
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: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -247.251490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.251490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.251490 (E_RNA)
where:
Base-Base interactions energy: -164.446
where: short stacking energy: -81.859
Base-Backbone interact. energy: -0.577
local terms energy: -82.228108
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -194.319891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.319891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.319891 (E_RNA)
where:
Base-Base interactions energy: -113.796
where: short stacking energy: -75.774
Base-Backbone interact. energy: -0.399
local terms energy: -80.125278
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -206.696640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.696640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696640 (E_RNA)
where:
Base-Base interactions energy: -128.032
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.067
local terms energy: -78.597465
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -199.092865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.092865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.092865 (E_RNA)
where:
Base-Base interactions energy: -129.478
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.656
local terms energy: -68.959077
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -107.488526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.488526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.488526 (E_RNA)
where:
Base-Base interactions energy: -52.625
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.135
local terms energy: -54.728301
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -3.245
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: 36
Temperature: 1.150000
Total energy: -110.323743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.323743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.323743 (E_RNA)
where:
Base-Base interactions energy: -45.773
where: short stacking energy: -45.773
Base-Backbone interact. energy: -0.038
local terms energy: -64.512478
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -95.478926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.478926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.478926 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.353
local terms energy: -61.134475
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -91.625679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.625679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.625679 (E_RNA)
where:
Base-Base interactions energy: -48.996
where: short stacking energy: -24.915
Base-Backbone interact. energy: 0.073
local terms energy: -42.702552
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: 3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -90.467718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.467718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.467718 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.544
local terms energy: -55.068615
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -74.484413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.484413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.484413 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -19.046
Base-Backbone interact. energy: -0.474
local terms energy: -36.757040
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -8.885
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -251.203097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.203097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.203097 (E_RNA)
where:
Base-Base interactions energy: -171.118
where: short stacking energy: -71.097
Base-Backbone interact. energy: -0.540
local terms energy: -79.545831
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -204.828171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.828171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.828171 (E_RNA)
where:
Base-Base interactions energy: -133.036
where: short stacking energy: -74.921
Base-Backbone interact. energy: -0.018
local terms energy: -71.775018
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -206.853983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.853983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.853983 (E_RNA)
where:
Base-Base interactions energy: -133.192
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.665
local terms energy: -72.997112
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -13.337
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: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -206.315185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.315185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.315185 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.141
local terms energy: -73.378653
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -107.679784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.679784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.679784 (E_RNA)
where:
Base-Base interactions energy: -49.937
where: short stacking energy: -43.074
Base-Backbone interact. energy: -0.187
local terms energy: -57.555187
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -110.300693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.300693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.300693 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -46.048
Base-Backbone interact. energy: -0.359
local terms energy: -63.211224
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -98.011008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.011008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.011008 (E_RNA)
where:
Base-Base interactions energy: -44.248
where: short stacking energy: -24.429
Base-Backbone interact. energy: -0.594
local terms energy: -53.169762
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -89.150339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.150339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.150339 (E_RNA)
where:
Base-Base interactions energy: -29.571
where: short stacking energy: -27.566
Base-Backbone interact. energy: 0.749
local terms energy: -60.327792
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -80.302388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.302388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.302388 (E_RNA)
where:
Base-Base interactions energy: -28.812
where: short stacking energy: -28.812
Base-Backbone interact. energy: 2.044
local terms energy: -53.533485
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -1.659
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: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -79.403800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.403800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.403800 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -28.221
Base-Backbone interact. energy: -0.605
local terms energy: -47.354634
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -246.742497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.742497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.742497 (E_RNA)
where:
Base-Base interactions energy: -172.881
where: short stacking energy: -78.388
Base-Backbone interact. energy: -1.088
local terms energy: -72.773251
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -9.974
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: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -202.369836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.369836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.369836 (E_RNA)
where:
Base-Base interactions energy: -115.290
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.001
local terms energy: -87.078725
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -207.434039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.434039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.434039 (E_RNA)
where:
Base-Base interactions energy: -130.398
where: short stacking energy: -68.541
Base-Backbone interact. energy: -1.529
local terms energy: -75.506675
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -187.119311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.119311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.119311 (E_RNA)
where:
Base-Base interactions energy: -110.357
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.012
local terms energy: -76.750028
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -13.226
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: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -113.131646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.131646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.131646 (E_RNA)
where:
Base-Base interactions energy: -47.626
where: short stacking energy: -46.616
Base-Backbone interact. energy: -0.036
local terms energy: -65.469931
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -10.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -107.087839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.087839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.087839 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -26.897
Base-Backbone interact. energy: 0.677
local terms energy: -66.672734
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -9.075
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: 38
Temperature: 1.200000
Total energy: -97.628913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.628913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.628913 (E_RNA)
where:
Base-Base interactions energy: -53.029
where: short stacking energy: -40.349
Base-Backbone interact. energy: -0.067
local terms energy: -44.532835
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -97.540915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.540915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.540915 (E_RNA)
where:
Base-Base interactions energy: -32.843
where: short stacking energy: -31.196
Base-Backbone interact. energy: 1.526
local terms energy: -66.223598
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -81.946573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.946573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.946573 (E_RNA)
where:
Base-Base interactions energy: -26.072
where: short stacking energy: -22.338
Base-Backbone interact. energy: -0.210
local terms energy: -55.664014
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -83.651929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.651929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.651929 (E_RNA)
where:
Base-Base interactions energy: -42.430
where: short stacking energy: -38.455
Base-Backbone interact. energy: 0.425
local terms energy: -41.647539
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: 2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -245.146078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.146078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.146078 (E_RNA)
where:
Base-Base interactions energy: -161.528
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.354
local terms energy: -83.264133
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -211.432066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.432066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.432066 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -58.638
Base-Backbone interact. energy: -0.022
local terms energy: -69.341080
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -202.330394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.330394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.330394 (E_RNA)
where:
Base-Base interactions energy: -126.306
where: short stacking energy: -64.816
Base-Backbone interact. energy: -0.014
local terms energy: -76.011174
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -169.635458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.635458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.635458 (E_RNA)
where:
Base-Base interactions energy: -105.003
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.820
local terms energy: -63.812651
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -107.768482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.768482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.768482 (E_RNA)
where:
Base-Base interactions energy: -42.756
where: short stacking energy: -42.756
Base-Backbone interact. energy: -0.010
local terms energy: -65.002153
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -12.127
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: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -113.405101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.405101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.405101 (E_RNA)
where:
Base-Base interactions energy: -50.139
where: short stacking energy: -29.609
Base-Backbone interact. energy: -0.427
local terms energy: -62.839297
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -8.101
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -103.852088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.852088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.852088 (E_RNA)
where:
Base-Base interactions energy: -52.815
where: short stacking energy: -33.947
Base-Backbone interact. energy: 0.429
local terms energy: -51.465622
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -98.049664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.049664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.049664 (E_RNA)
where:
Base-Base interactions energy: -40.777
where: short stacking energy: -31.180
Base-Backbone interact. energy: -0.175
local terms energy: -57.097912
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -91.627081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.627081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.627081 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -29.636
Base-Backbone interact. energy: -0.139
local terms energy: -60.020775
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.043
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: 39
Temperature: 1.350000
Total energy: -78.104353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.104353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.104353 (E_RNA)
where:
Base-Base interactions energy: -34.551
where: short stacking energy: -21.110
Base-Backbone interact. energy: -0.125
local terms energy: -43.427628
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -259.760450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.760450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.760450 (E_RNA)
where:
Base-Base interactions energy: -181.440
where: short stacking energy: -75.799
Base-Backbone interact. energy: -0.491
local terms energy: -77.829481
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.391
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: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -202.558019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.558019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.558019 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -56.094
Base-Backbone interact. energy: -0.217
local terms energy: -64.637857
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -12.186
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: 40
Temperature: 1.000000
Total energy: -203.811689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.811689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.811689 (E_RNA)
where:
Base-Base interactions energy: -126.628
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.054
local terms energy: -77.129709
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -199.685564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.685564 (E_RNA)
where:
Base-Base interactions energy: -129.261
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.170
local terms energy: -70.255273
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -127.979527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.979527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.979527 (E_RNA)
where:
Base-Base interactions energy: -68.903
where: short stacking energy: -42.622
Base-Backbone interact. energy: -1.018
local terms energy: -58.058918
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -110.933771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.933771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.933771 (E_RNA)
where:
Base-Base interactions energy: -47.967
where: short stacking energy: -36.037
Base-Backbone interact. energy: -0.555
local terms energy: -62.411064
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -92.900094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.900094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.900094 (E_RNA)
where:
Base-Base interactions energy: -45.747
where: short stacking energy: -37.484
Base-Backbone interact. energy: 1.435
local terms energy: -48.587896
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -100.174492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.174492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.174492 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.067
local terms energy: -66.571928
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -7.984
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: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -95.550402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.550402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.550402 (E_RNA)
where:
Base-Base interactions energy: -39.308
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.372
local terms energy: -55.870539
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -88.026777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.026777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.026777 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -27.651
Base-Backbone interact. energy: 2.549
local terms energy: -52.018737
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -258.212607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.212607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.212607 (E_RNA)
where:
Base-Base interactions energy: -180.571
where: short stacking energy: -79.105
Base-Backbone interact. energy: 0.880
local terms energy: -78.521822
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -13.446
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: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -201.952613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.952613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.952613 (E_RNA)
where:
Base-Base interactions energy: -130.152
where: short stacking energy: -61.978
Base-Backbone interact. energy: -0.307
local terms energy: -71.493447
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -8.667
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: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -208.444617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.444617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.444617 (E_RNA)
where:
Base-Base interactions energy: -132.997
where: short stacking energy: -69.514
Base-Backbone interact. energy: -0.017
local terms energy: -75.431169
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -202.457601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.457601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457601 (E_RNA)
where:
Base-Base interactions energy: -130.787
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.084
local terms energy: -71.586227
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -109.604914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.604914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.604914 (E_RNA)
where:
Base-Base interactions energy: -43.412
where: short stacking energy: -31.962
Base-Backbone interact. energy: -1.177
local terms energy: -65.016504
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -102.921709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.921709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.921709 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.659
local terms energy: -58.242809
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -104.845027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.845027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.845027 (E_RNA)
where:
Base-Base interactions energy: -50.965
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.113
local terms energy: -53.766587
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -87.702416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.702416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.702416 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -31.455
Base-Backbone interact. energy: 0.083
local terms energy: -48.744082
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -79.214643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.214643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.214643 (E_RNA)
where:
Base-Base interactions energy: -27.791
where: short stacking energy: -23.116
Base-Backbone interact. energy: 0.095
local terms energy: -51.519042
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -7.188
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: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -83.683395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.683395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.683395 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.074
local terms energy: -51.539779
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -254.111297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.111297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.111297 (E_RNA)
where:
Base-Base interactions energy: -165.565
where: short stacking energy: -76.140
Base-Backbone interact. energy: -0.442
local terms energy: -88.104535
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -12.762
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: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -196.004483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.004483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.004483 (E_RNA)
where:
Base-Base interactions energy: -114.785
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.316
local terms energy: -80.902831
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.674
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: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -192.266932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.266932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.266932 (E_RNA)
where:
Base-Base interactions energy: -119.684
where: short stacking energy: -56.463
Base-Backbone interact. energy: -0.067
local terms energy: -72.516243
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -12.112
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: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -192.270265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.270265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.270265 (E_RNA)
where:
Base-Base interactions energy: -114.059
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.079
local terms energy: -78.132128
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -128.737446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.737446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.737446 (E_RNA)
where:
Base-Base interactions energy: -62.909
where: short stacking energy: -48.951
Base-Backbone interact. energy: -0.369
local terms energy: -65.459661
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -7.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -107.557531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.557531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.557531 (E_RNA)
where:
Base-Base interactions energy: -53.382
where: short stacking energy: -39.296
Base-Backbone interact. energy: -1.362
local terms energy: -52.813729
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -96.032263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.032263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.032263 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -27.812
Base-Backbone interact. energy: -0.481
local terms energy: -59.564283
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -11.426
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: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -92.187586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.187586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.187586 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.368
local terms energy: -57.043255
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: 4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -85.896982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.896982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.896982 (E_RNA)
where:
Base-Base interactions energy: -32.261
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.634
local terms energy: -53.001976
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -14.087
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: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -90.536923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.536923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.536923 (E_RNA)
where:
Base-Base interactions energy: -35.005
where: short stacking energy: -33.266
Base-Backbone interact. energy: -0.086
local terms energy: -55.445712
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -247.130938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.130938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.130938 (E_RNA)
where:
Base-Base interactions energy: -166.764
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.161
local terms energy: -80.205570
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -212.003528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.003528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.003528 (E_RNA)
where:
Base-Base interactions energy: -138.610
where: short stacking energy: -67.685
Base-Backbone interact. energy: -0.002
local terms energy: -73.391130
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -4.996
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: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -179.129912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.129912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.129912 (E_RNA)
where:
Base-Base interactions energy: -111.098
where: short stacking energy: -60.332
Base-Backbone interact. energy: -0.005
local terms energy: -68.027644
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -11.320
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: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -186.918784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.918784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.918784 (E_RNA)
where:
Base-Base interactions energy: -122.798
where: short stacking energy: -53.904
Base-Backbone interact. energy: -0.174
local terms energy: -63.946800
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -103.955461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.955461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.955461 (E_RNA)
where:
Base-Base interactions energy: -42.893
where: short stacking energy: -42.893
Base-Backbone interact. energy: -0.165
local terms energy: -60.897162
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -106.683051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.683051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.683051 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -42.201
Base-Backbone interact. energy: -0.235
local terms energy: -64.247290
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -132.639888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.639888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.639888 (E_RNA)
where:
Base-Base interactions energy: -74.696
where: short stacking energy: -45.326
Base-Backbone interact. energy: -0.057
local terms energy: -57.886021
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -83.253105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.253105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.253105 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -24.506
Base-Backbone interact. energy: -0.330
local terms energy: -48.876207
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: 1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -79.006078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.006078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.006078 (E_RNA)
where:
Base-Base interactions energy: -30.688
where: short stacking energy: -30.688
Base-Backbone interact. energy: -0.111
local terms energy: -48.207374
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -91.164506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.164506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.164506 (E_RNA)
where:
Base-Base interactions energy: -30.380
where: short stacking energy: -28.368
Base-Backbone interact. energy: -0.044
local terms energy: -60.739992
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -250.550695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.550695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.550695 (E_RNA)
where:
Base-Base interactions energy: -169.854
where: short stacking energy: -67.491
Base-Backbone interact. energy: 3.477
local terms energy: -84.173392
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -12.096
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: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -204.452963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452963 (E_RNA)
where:
Base-Base interactions energy: -129.787
where: short stacking energy: -53.335
Base-Backbone interact. energy: -0.058
local terms energy: -74.608081
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -201.569165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.569165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.569165 (E_RNA)
where:
Base-Base interactions energy: -120.841
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.050
local terms energy: -80.678052
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -19.620
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -172.305035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.305035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.305035 (E_RNA)
where:
Base-Base interactions energy: -103.677
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.234
local terms energy: -68.393457
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.466
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: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -118.003295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.003295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.003295 (E_RNA)
where:
Base-Base interactions energy: -60.864
where: short stacking energy: -40.390
Base-Backbone interact. energy: 0.206
local terms energy: -57.345147
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -111.282890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.282890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.282890 (E_RNA)
where:
Base-Base interactions energy: -45.827
where: short stacking energy: -37.156
Base-Backbone interact. energy: -0.091
local terms energy: -65.365707
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -127.694599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.694599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.694599 (E_RNA)
where:
Base-Base interactions energy: -64.357
where: short stacking energy: -39.050
Base-Backbone interact. energy: 0.235
local terms energy: -63.573374
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -6.931
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: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -97.057912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.057912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.057912 (E_RNA)
where:
Base-Base interactions energy: -44.492
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.248
local terms energy: -52.317958
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -6.909
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: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -90.082420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.082420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.082420 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.383
local terms energy: -53.542970
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -8.083
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: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -85.098814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.098814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.098814 (E_RNA)
where:
Base-Base interactions energy: -29.505
where: short stacking energy: -28.072
Base-Backbone interact. energy: 0.291
local terms energy: -55.884244
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -262.255501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.255501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.255501 (E_RNA)
where:
Base-Base interactions energy: -181.767
where: short stacking energy: -74.043
Base-Backbone interact. energy: 0.229
local terms energy: -80.717186
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -202.248875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.248875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.248875 (E_RNA)
where:
Base-Base interactions energy: -129.036
where: short stacking energy: -61.712
Base-Backbone interact. energy: -0.006
local terms energy: -73.206155
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -212.397092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.397092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.397092 (E_RNA)
where:
Base-Base interactions energy: -142.102
where: short stacking energy: -66.755
Base-Backbone interact. energy: -0.064
local terms energy: -70.231331
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.411
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: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -190.403213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.403213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.403213 (E_RNA)
where:
Base-Base interactions energy: -116.433
where: short stacking energy: -62.640
Base-Backbone interact. energy: -0.035
local terms energy: -73.934683
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.826
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: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -140.736238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.736238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.736238 (E_RNA)
where:
Base-Base interactions energy: -69.878
where: short stacking energy: -53.084
Base-Backbone interact. energy: -0.096
local terms energy: -70.762623
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -11.770
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: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -118.424364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.424364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.424364 (E_RNA)
where:
Base-Base interactions energy: -61.829
where: short stacking energy: -41.418
Base-Backbone interact. energy: 1.276
local terms energy: -57.871137
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -0.007
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -100.962542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.962542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.962542 (E_RNA)
where:
Base-Base interactions energy: -47.155
where: short stacking energy: -24.991
Base-Backbone interact. energy: -0.651
local terms energy: -53.155871
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.903
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: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -88.920389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.920389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.920389 (E_RNA)
where:
Base-Base interactions energy: -48.135
where: short stacking energy: -33.906
Base-Backbone interact. energy: -0.732
local terms energy: -40.052886
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -4.080
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: 45
Temperature: 1.300000
Total energy: -83.774488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.774488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.774488 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.200
local terms energy: -46.822587
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -77.771696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.771696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.771696 (E_RNA)
where:
Base-Base interactions energy: -27.182
where: short stacking energy: -27.182
Base-Backbone interact. energy: 1.356
local terms energy: -51.945417
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -254.340790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.340790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.340790 (E_RNA)
where:
Base-Base interactions energy: -182.044
where: short stacking energy: -76.744
Base-Backbone interact. energy: -0.063
local terms energy: -72.233848
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -16.638
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -220.639714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.639714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.639714 (E_RNA)
where:
Base-Base interactions energy: -142.138
where: short stacking energy: -75.958
Base-Backbone interact. energy: -0.019
local terms energy: -78.482855
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -188.475227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.475227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.475227 (E_RNA)
where:
Base-Base interactions energy: -113.911
where: short stacking energy: -60.587
Base-Backbone interact. energy: 0.172
local terms energy: -74.735732
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -197.255173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.255173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.255173 (E_RNA)
where:
Base-Base interactions energy: -130.441
where: short stacking energy: -57.114
Base-Backbone interact. energy: -0.623
local terms energy: -66.191562
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -126.134007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.134007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.134007 (E_RNA)
where:
Base-Base interactions energy: -69.995
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.107
local terms energy: -56.031889
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -105.271294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.271294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.271294 (E_RNA)
where:
Base-Base interactions energy: -43.635
where: short stacking energy: -41.699
Base-Backbone interact. energy: -0.206
local terms energy: -61.430637
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -95.142665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.142665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.142665 (E_RNA)
where:
Base-Base interactions energy: -43.070
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.875
local terms energy: -51.197021
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -87.879096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.879096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.879096 (E_RNA)
where:
Base-Base interactions energy: -29.546
where: short stacking energy: -29.471
Base-Backbone interact. energy: 0.482
local terms energy: -58.814572
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -96.268192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.268192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.268192 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.582
local terms energy: -59.023388
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -79.186196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.186196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.186196 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.214
local terms energy: -46.393062
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -254.008133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.008133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.008133 (E_RNA)
where:
Base-Base interactions energy: -172.539
where: short stacking energy: -70.645
Base-Backbone interact. energy: 0.201
local terms energy: -81.670563
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -12.617
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -223.295418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.295418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.295418 (E_RNA)
where:
Base-Base interactions energy: -148.888
where: short stacking energy: -72.642
Base-Backbone interact. energy: -0.111
local terms energy: -74.296661
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -188.721069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.721069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.721069 (E_RNA)
where:
Base-Base interactions energy: -124.302
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.091
local terms energy: -64.327756
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -178.224507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.224507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.224507 (E_RNA)
where:
Base-Base interactions energy: -109.319
where: short stacking energy: -50.004
Base-Backbone interact. energy: -0.119
local terms energy: -68.787059
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -120.546129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.546129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.546129 (E_RNA)
where:
Base-Base interactions energy: -50.917
where: short stacking energy: -38.761
Base-Backbone interact. energy: -0.182
local terms energy: -69.446912
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -109.352712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.352712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.352712 (E_RNA)
where:
Base-Base interactions energy: -50.041
where: short stacking energy: -43.992
Base-Backbone interact. energy: -0.017
local terms energy: -59.295250
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -103.979534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.979534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.979534 (E_RNA)
where:
Base-Base interactions energy: -46.792
where: short stacking energy: -32.648
Base-Backbone interact. energy: -1.162
local terms energy: -56.024934
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -102.845343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.845343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.845343 (E_RNA)
where:
Base-Base interactions energy: -50.239
where: short stacking energy: -27.523
Base-Backbone interact. energy: -0.181
local terms energy: -52.425070
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -1.994
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: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -85.659041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659041 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -34.961
Base-Backbone interact. energy: 0.241
local terms energy: -50.939541
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -5.127
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: 47
Temperature: 1.350000
Total energy: -76.233146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.233146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.233146 (E_RNA)
where:
Base-Base interactions energy: -24.032
where: short stacking energy: -23.973
Base-Backbone interact. energy: -0.017
local terms energy: -52.184083
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -260.296060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.296060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.296060 (E_RNA)
where:
Base-Base interactions energy: -182.613
where: short stacking energy: -69.660
Base-Backbone interact. energy: -0.042
local terms energy: -77.641432
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -221.629757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.629757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.629757 (E_RNA)
where:
Base-Base interactions energy: -149.518
where: short stacking energy: -71.888
Base-Backbone interact. energy: -0.003
local terms energy: -72.108947
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -187.110860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.110860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.110860 (E_RNA)
where:
Base-Base interactions energy: -124.136
where: short stacking energy: -58.227
Base-Backbone interact. energy: 0.120
local terms energy: -63.094946
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -174.072250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.072250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.072250 (E_RNA)
where:
Base-Base interactions energy: -105.861
where: short stacking energy: -48.158
Base-Backbone interact. energy: -0.342
local terms energy: -67.868881
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -11.395
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: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -110.641003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.641003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.641003 (E_RNA)
where:
Base-Base interactions energy: -57.015
where: short stacking energy: -47.466
Base-Backbone interact. energy: -0.318
local terms energy: -53.307826
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -99.005451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.005451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.005451 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -33.369
Base-Backbone interact. energy: -0.741
local terms energy: -62.009074
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -4.852
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: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -102.322604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.322604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.322604 (E_RNA)
where:
Base-Base interactions energy: -57.058
where: short stacking energy: -26.225
Base-Backbone interact. energy: -0.636
local terms energy: -44.628342
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -100.715077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.715077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.715077 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -38.045
Base-Backbone interact. energy: -0.084
local terms energy: -52.843364
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -92.004660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.004660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.004660 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -37.840
Base-Backbone interact. energy: -0.451
local terms energy: -53.713697
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -2.259
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: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -81.907532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.907532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.907532 (E_RNA)
where:
Base-Base interactions energy: -29.949
where: short stacking energy: -29.395
Base-Backbone interact. energy: -0.073
local terms energy: -51.885701
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -5.485
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: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -257.743033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.743033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.743033 (E_RNA)
where:
Base-Base interactions energy: -178.090
where: short stacking energy: -64.114
Base-Backbone interact. energy: 0.469
local terms energy: -80.122814
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -225.327808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.327808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.327808 (E_RNA)
where:
Base-Base interactions energy: -153.382
where: short stacking energy: -68.238
Base-Backbone interact. energy: -0.723
local terms energy: -71.222433
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -202.601825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.601825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.601825 (E_RNA)
where:
Base-Base interactions energy: -132.080
where: short stacking energy: -66.705
Base-Backbone interact. energy: 0.759
local terms energy: -71.281060
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -13.995
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: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -197.927568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.927568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.927568 (E_RNA)
where:
Base-Base interactions energy: -127.291
where: short stacking energy: -45.054
Base-Backbone interact. energy: -0.150
local terms energy: -70.486442
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -119.060777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.060777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.060777 (E_RNA)
where:
Base-Base interactions energy: -51.392
where: short stacking energy: -37.947
Base-Backbone interact. energy: 0.351
local terms energy: -68.019847
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -109.877210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.877210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.877210 (E_RNA)
where:
Base-Base interactions energy: -42.706
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.262
local terms energy: -66.909064
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -95.827983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.827983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.827983 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -37.607
Base-Backbone interact. energy: 0.109
local terms energy: -51.076278
where:
bonds (distance) C4'-P energy: -7.161
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -102.041083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.041083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.041083 (E_RNA)
where:
Base-Base interactions energy: -44.917
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.199
local terms energy: -56.925355
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -89.470674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.470674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.470674 (E_RNA)
where:
Base-Base interactions energy: -37.730
where: short stacking energy: -34.035
Base-Backbone interact. energy: -0.605
local terms energy: -51.135103
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -7.952
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: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -82.852020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.852020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.852020 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -31.546
Base-Backbone interact. energy: 0.072
local terms energy: -51.858704
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -255.130113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.130113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.130113 (E_RNA)
where:
Base-Base interactions energy: -174.688
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.178
local terms energy: -80.264165
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -217.665852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.665852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.665852 (E_RNA)
where:
Base-Base interactions energy: -132.771
where: short stacking energy: -74.987
Base-Backbone interact. energy: 0.038
local terms energy: -84.932091
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -209.274841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.274841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.274841 (E_RNA)
where:
Base-Base interactions energy: -128.519
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.435
local terms energy: -80.320200
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -199.999549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.999549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.999549 (E_RNA)
where:
Base-Base interactions energy: -126.081
where: short stacking energy: -53.353
Base-Backbone interact. energy: 0.991
local terms energy: -74.909411
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -128.568779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.568779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.568779 (E_RNA)
where:
Base-Base interactions energy: -66.647
where: short stacking energy: -54.102
Base-Backbone interact. energy: -1.241
local terms energy: -60.680386
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -101.910311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.910311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.910311 (E_RNA)
where:
Base-Base interactions energy: -43.099
where: short stacking energy: -41.323
Base-Backbone interact. energy: -0.391
local terms energy: -58.420467
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -0.460
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -105.826323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.826323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.826323 (E_RNA)
where:
Base-Base interactions energy: -51.057
where: short stacking energy: -48.401
Base-Backbone interact. energy: -0.196
local terms energy: -54.573965
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -98.283308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.283308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.283308 (E_RNA)
where:
Base-Base interactions energy: -40.923
where: short stacking energy: -38.962
Base-Backbone interact. energy: 0.261
local terms energy: -57.622098
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.359
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: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -82.282284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.282284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.282284 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -28.581
Base-Backbone interact. energy: 0.478
local terms energy: -44.831555
where:
bonds (distance) C4'-P energy: -6.716
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -84.205958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.205958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.205958 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -37.943
Base-Backbone interact. energy: -0.117
local terms energy: -44.405147
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -255.968054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.968054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.968054 (E_RNA)
where:
Base-Base interactions energy: -170.896
where: short stacking energy: -71.096
Base-Backbone interact. energy: -0.075
local terms energy: -84.997021
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -223.297879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.297879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.297879 (E_RNA)
where:
Base-Base interactions energy: -142.732
where: short stacking energy: -78.280
Base-Backbone interact. energy: -1.305
local terms energy: -79.260860
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -210.313536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.313536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.313536 (E_RNA)
where:
Base-Base interactions energy: -130.911
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.003
local terms energy: -79.399162
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -16.034
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: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -209.918252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.918252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.918252 (E_RNA)
where:
Base-Base interactions energy: -132.160
where: short stacking energy: -64.708
Base-Backbone interact. energy: -0.007
local terms energy: -77.751568
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -114.503334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.503334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.503334 (E_RNA)
where:
Base-Base interactions energy: -48.863
where: short stacking energy: -38.771
Base-Backbone interact. energy: -0.727
local terms energy: -64.913815
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -99.677515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.677515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.677515 (E_RNA)
where:
Base-Base interactions energy: -42.432
where: short stacking energy: -40.706
Base-Backbone interact. energy: -0.484
local terms energy: -56.761649
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -119.164437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.164437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.164437 (E_RNA)
where:
Base-Base interactions energy: -49.317
where: short stacking energy: -33.660
Base-Backbone interact. energy: -0.239
local terms energy: -69.608220
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -15.754
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: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -94.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.808332 (E_RNA)
where:
Base-Base interactions energy: -34.549
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.429
local terms energy: -59.830097
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -0.559
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: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -87.687701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.687701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.687701 (E_RNA)
where:
Base-Base interactions energy: -38.050
where: short stacking energy: -24.268
Base-Backbone interact. energy: -0.175
local terms energy: -49.462621
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: 4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -89.413113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.413113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.413113 (E_RNA)
where:
Base-Base interactions energy: -39.535
where: short stacking energy: -29.203
Base-Backbone interact. energy: -0.250
local terms energy: -49.628558
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -218.936239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.936239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.936239 (E_RNA)
where:
Base-Base interactions energy: -139.474
where: short stacking energy: -70.844
Base-Backbone interact. energy: -0.732
local terms energy: -78.730442
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -258.632210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.632210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.632210 (E_RNA)
where:
Base-Base interactions energy: -181.012
where: short stacking energy: -75.101
Base-Backbone interact. energy: -0.129
local terms energy: -77.491405
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -20.543
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: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -200.143097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.143097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.143097 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.001
local terms energy: -73.347189
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -218.806084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.806084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.806084 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.033
local terms energy: -74.551154
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -105.420494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.420494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.420494 (E_RNA)
where:
Base-Base interactions energy: -43.956
where: short stacking energy: -30.983
Base-Backbone interact. energy: -0.196
local terms energy: -61.268619
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -105.156762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.156762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.156762 (E_RNA)
where:
Base-Base interactions energy: -56.650
where: short stacking energy: -24.595
Base-Backbone interact. energy: -0.204
local terms energy: -48.302547
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -5.908
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -101.172464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.172464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.172464 (E_RNA)
where:
Base-Base interactions energy: -39.915
where: short stacking energy: -39.840
Base-Backbone interact. energy: -0.266
local terms energy: -60.991110
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -7.674
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: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -91.210514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.210514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.210514 (E_RNA)
where:
Base-Base interactions energy: -37.638
where: short stacking energy: -23.162
Base-Backbone interact. energy: 0.382
local terms energy: -53.955095
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: 0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -99.431196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.431196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.431196 (E_RNA)
where:
Base-Base interactions energy: -51.348
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.074
local terms energy: -48.009602
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -8.357
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -79.504816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.504816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.504816 (E_RNA)
where:
Base-Base interactions energy: -25.561
where: short stacking energy: -25.561
Base-Backbone interact. energy: -0.202
local terms energy: -53.741519
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -208.401341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.401341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.401341 (E_RNA)
where:
Base-Base interactions energy: -127.285
where: short stacking energy: -69.062
Base-Backbone interact. energy: -1.070
local terms energy: -80.046705
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -248.765801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.765801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.765801 (E_RNA)
where:
Base-Base interactions energy: -173.200
where: short stacking energy: -73.908
Base-Backbone interact. energy: -0.606
local terms energy: -74.960087
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -18.272
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: 3, replica: 6
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -200.676975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.676975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.676975 (E_RNA)
where:
Base-Base interactions energy: -126.387
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.134
local terms energy: -74.155717
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -18.372
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: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -196.895115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.895115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.895115 (E_RNA)
where:
Base-Base interactions energy: -127.312
where: short stacking energy: -60.365
Base-Backbone interact. energy: 1.342
local terms energy: -70.924908
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -15.040
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: 53
Temperature: 1.100000
Total energy: -116.622036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.622036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.622036 (E_RNA)
where:
Base-Base interactions energy: -42.243
where: short stacking energy: -42.243
Base-Backbone interact. energy: 0.146
local terms energy: -74.524768
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -106.592820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.592820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.592820 (E_RNA)
where:
Base-Base interactions energy: -45.574
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.177
local terms energy: -60.841390
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -89.811126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.811126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.811126 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -27.809
Base-Backbone interact. energy: 0.086
local terms energy: -56.981994
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -93.050266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.050266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.050266 (E_RNA)
where:
Base-Base interactions energy: -31.136
where: short stacking energy: -30.890
Base-Backbone interact. energy: 0.085
local terms energy: -62.000113
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -9.067
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: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -89.279809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.279809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.279809 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.132
local terms energy: -55.832135
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -84.331251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.331251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.331251 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -27.185
Base-Backbone interact. energy: 0.495
local terms energy: -49.233746
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -7.954
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: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -249.433356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.433356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.433356 (E_RNA)
where:
Base-Base interactions energy: -171.616
where: short stacking energy: -60.341
Base-Backbone interact. energy: 0.076
local terms energy: -77.893201
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -220.642123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.642123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.642123 (E_RNA)
where:
Base-Base interactions energy: -155.732
where: short stacking energy: -62.120
Base-Backbone interact. energy: -1.180
local terms energy: -63.729603
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -203.419213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.419213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.419213 (E_RNA)
where:
Base-Base interactions energy: -135.404
where: short stacking energy: -63.520
Base-Backbone interact. energy: -0.209
local terms energy: -67.806477
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -205.349004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.349004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.349004 (E_RNA)
where:
Base-Base interactions energy: -132.360
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.140
local terms energy: -72.848521
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -117.181844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.181844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.181844 (E_RNA)
where:
Base-Base interactions energy: -51.028
where: short stacking energy: -46.801
Base-Backbone interact. energy: -0.006
local terms energy: -66.147945
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -106.896349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.896349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.896349 (E_RNA)
where:
Base-Base interactions energy: -45.193
where: short stacking energy: -43.335
Base-Backbone interact. energy: 0.218
local terms energy: -61.921363
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -111.197689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.197689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.197689 (E_RNA)
where:
Base-Base interactions energy: -49.603
where: short stacking energy: -49.603
Base-Backbone interact. energy: -0.037
local terms energy: -61.558241
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -88.142926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.142926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.142926 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -28.359
Base-Backbone interact. energy: 1.573
local terms energy: -59.888818
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -86.687734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.687734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.687734 (E_RNA)
where:
Base-Base interactions energy: -37.442
where: short stacking energy: -23.652
Base-Backbone interact. energy: -0.388
local terms energy: -48.857120
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: 5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -98.180280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.180280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.180280 (E_RNA)
where:
Base-Base interactions energy: -45.403
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.090
local terms energy: -52.687120
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -6.954
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -9.148
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: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -262.047455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.047455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.047455 (E_RNA)
where:
Base-Base interactions energy: -183.151
where: short stacking energy: -79.117
Base-Backbone interact. energy: -0.441
local terms energy: -78.455252
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -19.187
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: 55
Temperature: 0.950000
Total energy: -214.643727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.643727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.643727 (E_RNA)
where:
Base-Base interactions energy: -131.153
where: short stacking energy: -67.397
Base-Backbone interact. energy: 0.489
local terms energy: -83.980111
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -219.981208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.981208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.981208 (E_RNA)
where:
Base-Base interactions energy: -143.544
where: short stacking energy: -56.872
Base-Backbone interact. energy: 0.761
local terms energy: -77.198670
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -199.901281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.901281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.901281 (E_RNA)
where:
Base-Base interactions energy: -122.886
where: short stacking energy: -50.921
Base-Backbone interact. energy: 0.029
local terms energy: -77.044208
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -15.539
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: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -111.481773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.481773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.481773 (E_RNA)
where:
Base-Base interactions energy: -52.658
where: short stacking energy: -47.329
Base-Backbone interact. energy: -0.049
local terms energy: -58.775182
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -130.175296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.175296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.175296 (E_RNA)
where:
Base-Base interactions energy: -73.539
where: short stacking energy: -48.851
Base-Backbone interact. energy: -0.124
local terms energy: -56.512139
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: 1.763
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -104.904475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.904475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.904475 (E_RNA)
where:
Base-Base interactions energy: -39.173
where: short stacking energy: -35.434
Base-Backbone interact. energy: -0.017
local terms energy: -65.714166
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -109.096171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.096171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.096171 (E_RNA)
where:
Base-Base interactions energy: -55.733
where: short stacking energy: -42.618
Base-Backbone interact. energy: -0.372
local terms energy: -52.991140
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -94.658271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.658271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.658271 (E_RNA)
where:
Base-Base interactions energy: -41.808
where: short stacking energy: -41.808
Base-Backbone interact. energy: -0.226
local terms energy: -52.624447
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -81.926861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.926861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.926861 (E_RNA)
where:
Base-Base interactions energy: -24.498
where: short stacking energy: -24.498
Base-Backbone interact. energy: -0.757
local terms energy: -56.671558
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: 0.143
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: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -257.667957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.667957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.667957 (E_RNA)
where:
Base-Base interactions energy: -179.230
where: short stacking energy: -70.624
Base-Backbone interact. energy: -0.115
local terms energy: -78.323504
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -210.668264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.668264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.668264 (E_RNA)
where:
Base-Base interactions energy: -126.892
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.064
local terms energy: -83.712326
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -10.688
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: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -208.932976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.932976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.932976 (E_RNA)
where:
Base-Base interactions energy: -139.728
where: short stacking energy: -49.038
Base-Backbone interact. energy: -1.414
local terms energy: -67.790647
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -15.423
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: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -217.609099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.609099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.609099 (E_RNA)
where:
Base-Base interactions energy: -140.398
where: short stacking energy: -66.776
Base-Backbone interact. energy: -1.189
local terms energy: -76.021622
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -122.797439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.797439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.797439 (E_RNA)
where:
Base-Base interactions energy: -66.387
where: short stacking energy: -42.280
Base-Backbone interact. energy: -0.386
local terms energy: -56.024147
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -7.118
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: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -117.640280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.640280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.640280 (E_RNA)
where:
Base-Base interactions energy: -61.645
where: short stacking energy: -30.819
Base-Backbone interact. energy: -0.735
local terms energy: -55.259819
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -106.555539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.555539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.555539 (E_RNA)
where:
Base-Base interactions energy: -53.562
where: short stacking energy: -34.823
Base-Backbone interact. energy: -0.058
local terms energy: -52.935257
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -94.560917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.560917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.560917 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.071
local terms energy: -59.781929
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -98.309503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.309503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.309503 (E_RNA)
where:
Base-Base interactions energy: -43.020
where: short stacking energy: -32.838
Base-Backbone interact. energy: -0.083
local terms energy: -55.206585
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -8.295
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: 56
Temperature: 1.350000
Total energy: -83.506091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.506091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.506091 (E_RNA)
where:
Base-Base interactions energy: -33.446
where: short stacking energy: -15.082
Base-Backbone interact. energy: -0.071
local terms energy: -49.988857
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: 1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -263.753620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.753620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.753620 (E_RNA)
where:
Base-Base interactions energy: -195.163
where: short stacking energy: -66.352
Base-Backbone interact. energy: -1.309
local terms energy: -67.281674
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -208.887539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.887539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.887539 (E_RNA)
where:
Base-Base interactions energy: -141.155
where: short stacking energy: -56.990
Base-Backbone interact. energy: -1.112
local terms energy: -66.620790
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -211.283873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.283873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.283873 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -65.801
Base-Backbone interact. energy: -0.254
local terms energy: -71.775034
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -213.567755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.567755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.567755 (E_RNA)
where:
Base-Base interactions energy: -133.263
where: short stacking energy: -63.521
Base-Backbone interact. energy: -1.147
local terms energy: -79.157220
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -112.466430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.466430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.466430 (E_RNA)
where:
Base-Base interactions energy: -43.238
where: short stacking energy: -43.238
Base-Backbone interact. energy: 0.666
local terms energy: -69.894268
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.811
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: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -155.048635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.048635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.048635 (E_RNA)
where:
Base-Base interactions energy: -101.107
where: short stacking energy: -37.990
Base-Backbone interact. energy: -0.158
local terms energy: -53.784037
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -99.946095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.946095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.946095 (E_RNA)
where:
Base-Base interactions energy: -49.065
where: short stacking energy: -30.375
Base-Backbone interact. energy: -0.135
local terms energy: -50.746677
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -92.653439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653439 (E_RNA)
where:
Base-Base interactions energy: -36.052
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.129
local terms energy: -56.472128
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: 1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -84.761395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.761395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.761395 (E_RNA)
where:
Base-Base interactions energy: -31.007
where: short stacking energy: -29.151
Base-Backbone interact. energy: 1.960
local terms energy: -55.715011
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -79.219422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.219422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.219422 (E_RNA)
where:
Base-Base interactions energy: -26.197
where: short stacking energy: -26.197
Base-Backbone interact. energy: -0.239
local terms energy: -52.782919
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -262.805833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.805833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.805833 (E_RNA)
where:
Base-Base interactions energy: -194.862
where: short stacking energy: -65.052
Base-Backbone interact. energy: 1.746
local terms energy: -69.690481
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -224.089852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.089852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.089852 (E_RNA)
where:
Base-Base interactions energy: -156.515
where: short stacking energy: -60.718
Base-Backbone interact. energy: 0.193
local terms energy: -67.768481
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -14.977
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: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -215.073950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.073950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.073950 (E_RNA)
where:
Base-Base interactions energy: -148.834
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.156
local terms energy: -66.083550
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -189.983521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.983521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.983521 (E_RNA)
where:
Base-Base interactions energy: -122.155
where: short stacking energy: -47.764
Base-Backbone interact. energy: 0.440
local terms energy: -68.268883
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -9.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -168.878871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.878871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.878871 (E_RNA)
where:
Base-Base interactions energy: -102.735
where: short stacking energy: -58.707
Base-Backbone interact. energy: 0.557
local terms energy: -66.700897
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -111.911527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.911527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.911527 (E_RNA)
where:
Base-Base interactions energy: -48.805
where: short stacking energy: -48.136
Base-Backbone interact. energy: 1.360
local terms energy: -64.467401
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -94.311005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.311005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.311005 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -39.637
Base-Backbone interact. energy: -0.001
local terms energy: -49.880072
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -2.046
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -98.604483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.604483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.604483 (E_RNA)
where:
Base-Base interactions energy: -42.010
where: short stacking energy: -25.755
Base-Backbone interact. energy: -0.124
local terms energy: -56.471052
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -96.471590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.471590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.471590 (E_RNA)
where:
Base-Base interactions energy: -43.840
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.195
local terms energy: -52.437047
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -89.789784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789784 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -32.374
Base-Backbone interact. energy: 1.162
local terms energy: -58.577481
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -258.301404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.301404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.301404 (E_RNA)
where:
Base-Base interactions energy: -178.317
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.213
local terms energy: -79.771089
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -16.481
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -223.055356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.055356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.055356 (E_RNA)
where:
Base-Base interactions energy: -142.006
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.018
local terms energy: -81.030976
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -12.455
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: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -206.656713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.656713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.656713 (E_RNA)
where:
Base-Base interactions energy: -135.143
where: short stacking energy: -56.229
Base-Backbone interact. energy: -0.261
local terms energy: -71.252583
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -193.732089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.732089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.732089 (E_RNA)
where:
Base-Base interactions energy: -125.728
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.026
local terms energy: -67.977666
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -167.151027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.151027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.151027 (E_RNA)
where:
Base-Base interactions energy: -97.888
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.103
local terms energy: -69.160479
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -113.505552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.505552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.505552 (E_RNA)
where:
Base-Base interactions energy: -55.669
where: short stacking energy: -34.347
Base-Backbone interact. energy: -0.561
local terms energy: -57.275827
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -106.536976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.536976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.536976 (E_RNA)
where:
Base-Base interactions energy: -54.829
where: short stacking energy: -39.623
Base-Backbone interact. energy: -0.221
local terms energy: -51.487474
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -91.843804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.843804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.843804 (E_RNA)
where:
Base-Base interactions energy: -29.837
where: short stacking energy: -28.340
Base-Backbone interact. energy: -0.233
local terms energy: -61.773949
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.995
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: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -84.832460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.832460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.832460 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -33.522
Base-Backbone interact. energy: -0.356
local terms energy: -50.953620
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -7.385
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -78.850436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850436 (E_RNA)
where:
Base-Base interactions energy: -26.942
where: short stacking energy: -20.448
Base-Backbone interact. energy: 1.070
local terms energy: -52.977948
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -257.335026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.335026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.335026 (E_RNA)
where:
Base-Base interactions energy: -183.177
where: short stacking energy: -66.109
Base-Backbone interact. energy: 0.982
local terms energy: -75.139304
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -205.054472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.054472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.054472 (E_RNA)
where:
Base-Base interactions energy: -129.218
where: short stacking energy: -50.497
Base-Backbone interact. energy: -0.308
local terms energy: -75.529001
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -191.412125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.412125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.412125 (E_RNA)
where:
Base-Base interactions energy: -116.600
where: short stacking energy: -53.805
Base-Backbone interact. energy: -1.254
local terms energy: -73.558191
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.569
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: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -198.958808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.958808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.958808 (E_RNA)
where:
Base-Base interactions energy: -143.312
where: short stacking energy: -49.853
Base-Backbone interact. energy: -0.571
local terms energy: -55.075769
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -157.217826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.217826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.217826 (E_RNA)
where:
Base-Base interactions energy: -96.082
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.337
local terms energy: -60.798872
where:
bonds (distance) C4'-P energy: -6.561
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -101.233454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.233454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.233454 (E_RNA)
where:
Base-Base interactions energy: -46.428
where: short stacking energy: -33.835
Base-Backbone interact. energy: -1.005
local terms energy: -53.800019
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -7.360
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: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -90.272850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.272850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.272850 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -36.082
Base-Backbone interact. energy: -0.012
local terms energy: -53.906347
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.851
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: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -98.775748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.775748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.775748 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.116
local terms energy: -58.999014
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -92.616992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.616992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.616992 (E_RNA)
where:
Base-Base interactions energy: -40.898
where: short stacking energy: -20.631
Base-Backbone interact. energy: -0.267
local terms energy: -51.451586
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -81.651889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.651889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.651889 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -23.545
Base-Backbone interact. energy: 3.911
local terms energy: -51.027725
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -252.792138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.792138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.792138 (E_RNA)
where:
Base-Base interactions energy: -176.627
where: short stacking energy: -69.265
Base-Backbone interact. energy: -0.854
local terms energy: -75.311506
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -186.891355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.891355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.891355 (E_RNA)
where:
Base-Base interactions energy: -107.268
where: short stacking energy: -73.372
Base-Backbone interact. energy: -0.066
local terms energy: -79.556987
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -22.371
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -212.201845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.201845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.201845 (E_RNA)
where:
Base-Base interactions energy: -124.622
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.100
local terms energy: -87.479887
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -193.568014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.568014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.568014 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -48.827
Base-Backbone interact. energy: 2.846
local terms energy: -59.913427
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -164.684039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.684039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.684039 (E_RNA)
where:
Base-Base interactions energy: -105.014
where: short stacking energy: -53.335
Base-Backbone interact. energy: -0.211
local terms energy: -59.459283
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -11.233
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: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -110.449967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.449967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.449967 (E_RNA)
where:
Base-Base interactions energy: -48.687
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.667
local terms energy: -61.096104
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.031
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -117.382642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.382642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.382642 (E_RNA)
where:
Base-Base interactions energy: -61.638
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.217
local terms energy: -55.527499
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -99.866074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.866074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.866074 (E_RNA)
where:
Base-Base interactions energy: -44.775
where: short stacking energy: -44.775
Base-Backbone interact. energy: 0.256
local terms energy: -55.347343
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -5.347
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: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -105.804935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.804935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.804935 (E_RNA)
where:
Base-Base interactions energy: -53.289
where: short stacking energy: -33.215
Base-Backbone interact. energy: 0.480
local terms energy: -52.995524
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -9.185
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: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -81.405234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.405234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.405234 (E_RNA)
where:
Base-Base interactions energy: -39.552
where: short stacking energy: -30.380
Base-Backbone interact. energy: -0.303
local terms energy: -41.550618
where:
bonds (distance) C4'-P energy: -7.113
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -1.946
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -263.395173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.395173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.395173 (E_RNA)
where:
Base-Base interactions energy: -185.391
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.740
local terms energy: -77.264617
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -185.431888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.431888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.431888 (E_RNA)
where:
Base-Base interactions energy: -111.248
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.478
local terms energy: -73.705886
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -212.696189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.696189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.696189 (E_RNA)
where:
Base-Base interactions energy: -134.365
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.002
local terms energy: -78.329776
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -23.258
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: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -193.147630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.147630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.147630 (E_RNA)
where:
Base-Base interactions energy: -123.440
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.443
local terms energy: -69.264853
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -165.366419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.366419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.366419 (E_RNA)
where:
Base-Base interactions energy: -94.732
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.261
local terms energy: -70.373694
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -109.697556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.697556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.697556 (E_RNA)
where:
Base-Base interactions energy: -50.736
where: short stacking energy: -49.004
Base-Backbone interact. energy: -0.288
local terms energy: -58.673348
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -101.854325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.854325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.854325 (E_RNA)
where:
Base-Base interactions energy: -50.182
where: short stacking energy: -38.284
Base-Backbone interact. energy: -0.094
local terms energy: -51.578209
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.721
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: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -96.144302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.144302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.144302 (E_RNA)
where:
Base-Base interactions energy: -31.438
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.133
local terms energy: -64.573043
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -99.175214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175214 (E_RNA)
where:
Base-Base interactions energy: -47.443
where: short stacking energy: -31.048
Base-Backbone interact. energy: -0.094
local terms energy: -51.638007
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.960292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.960292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.960292 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -24.986
Base-Backbone interact. energy: -0.163
local terms energy: -54.979230
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -6.329
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: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -255.538918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.538918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.538918 (E_RNA)
where:
Base-Base interactions energy: -183.588
where: short stacking energy: -66.714
Base-Backbone interact. energy: 1.372
local terms energy: -73.322407
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -19.358
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: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -218.838553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.838553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.838553 (E_RNA)
where:
Base-Base interactions energy: -143.299
where: short stacking energy: -68.319
Base-Backbone interact. energy: -0.001
local terms energy: -75.537665
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -173.382719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.382719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.382719 (E_RNA)
where:
Base-Base interactions energy: -101.144
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.013
local terms energy: -72.225680
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -6.995
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: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -186.965697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.965697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.965697 (E_RNA)
where:
Base-Base interactions energy: -113.454
where: short stacking energy: -62.142
Base-Backbone interact. energy: -0.593
local terms energy: -72.919008
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -7.328
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: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -178.457447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.457447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.457447 (E_RNA)
where:
Base-Base interactions energy: -105.004
where: short stacking energy: -60.324
Base-Backbone interact. energy: -0.074
local terms energy: -73.379853
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -123.890104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.890104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.890104 (E_RNA)
where:
Base-Base interactions energy: -67.325
where: short stacking energy: -42.175
Base-Backbone interact. energy: -0.115
local terms energy: -56.450509
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -137.366587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.366587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.366587 (E_RNA)
where:
Base-Base interactions energy: -69.131
where: short stacking energy: -51.989
Base-Backbone interact. energy: 0.863
local terms energy: -69.097905
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -92.949832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.949832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.949832 (E_RNA)
where:
Base-Base interactions energy: -33.625
where: short stacking energy: -23.071
Base-Backbone interact. energy: -0.200
local terms energy: -59.124828
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -91.640595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.640595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.640595 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -37.552
Base-Backbone interact. energy: -0.020
local terms energy: -53.833554
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -79.019069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.019069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.019069 (E_RNA)
where:
Base-Base interactions energy: -31.569
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.250
local terms energy: -47.199977
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: 0.327
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: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -226.786432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.786432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.786432 (E_RNA)
where:
Base-Base interactions energy: -140.443
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.025
local terms energy: -86.319107
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -23.398
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: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -253.980694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.980694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.980694 (E_RNA)
where:
Base-Base interactions energy: -178.425
where: short stacking energy: -62.074
Base-Backbone interact. energy: 1.643
local terms energy: -77.197876
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -11.072
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: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -203.397288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.397288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.397288 (E_RNA)
where:
Base-Base interactions energy: -134.833
where: short stacking energy: -56.390
Base-Backbone interact. energy: -0.220
local terms energy: -68.344495
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -157.283696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.283696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.283696 (E_RNA)
where:
Base-Base interactions energy: -87.479
where: short stacking energy: -54.043
Base-Backbone interact. energy: -0.024
local terms energy: -69.781275
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -180.564476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.564476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.564476 (E_RNA)
where:
Base-Base interactions energy: -109.408
where: short stacking energy: -61.874
Base-Backbone interact. energy: 1.166
local terms energy: -72.322003
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -144.065147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.065147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.065147 (E_RNA)
where:
Base-Base interactions energy: -88.461
where: short stacking energy: -51.148
Base-Backbone interact. energy: -0.248
local terms energy: -55.356681
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -89.899621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.899621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.899621 (E_RNA)
where:
Base-Base interactions energy: -35.994
where: short stacking energy: -34.324
Base-Backbone interact. energy: 0.200
local terms energy: -54.105899
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -112.792046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.792046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.792046 (E_RNA)
where:
Base-Base interactions energy: -58.944
where: short stacking energy: -44.229
Base-Backbone interact. energy: -0.091
local terms energy: -53.756761
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -4.319
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -85.093074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.093074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.093074 (E_RNA)
where:
Base-Base interactions energy: -27.266
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.341
local terms energy: -57.486043
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -91.010764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010764 (E_RNA)
where:
Base-Base interactions energy: -46.825
where: short stacking energy: -33.485
Base-Backbone interact. energy: -0.012
local terms energy: -44.173981
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -221.020333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.020333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.020333 (E_RNA)
where:
Base-Base interactions energy: -142.271
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.084
local terms energy: -78.664637
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -258.518477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.518477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.518477 (E_RNA)
where:
Base-Base interactions energy: -183.963
where: short stacking energy: -65.376
Base-Backbone interact. energy: 0.704
local terms energy: -75.258815
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -198.412155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.412155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.412155 (E_RNA)
where:
Base-Base interactions energy: -119.049
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.226
local terms energy: -79.136683
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -183.285403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.285403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.285403 (E_RNA)
where:
Base-Base interactions energy: -108.351
where: short stacking energy: -47.403
Base-Backbone interact. energy: -0.881
local terms energy: -74.054080
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.002
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: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -153.981312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.981312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.981312 (E_RNA)
where:
Base-Base interactions energy: -93.474
where: short stacking energy: -41.221
Base-Backbone interact. energy: -0.892
local terms energy: -59.615319
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -115.831046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.831046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.831046 (E_RNA)
where:
Base-Base interactions energy: -59.694
where: short stacking energy: -38.827
Base-Backbone interact. energy: -0.395
local terms energy: -55.742035
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -149.559949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.559949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.559949 (E_RNA)
where:
Base-Base interactions energy: -88.054
where: short stacking energy: -41.057
Base-Backbone interact. energy: 0.411
local terms energy: -61.917388
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -92.835773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835773 (E_RNA)
where:
Base-Base interactions energy: -33.077
where: short stacking energy: -28.330
Base-Backbone interact. energy: -0.134
local terms energy: -59.623826
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -2.693
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: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -85.133661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.133661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.133661 (E_RNA)
where:
Base-Base interactions energy: -41.917
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.482
local terms energy: -42.734748
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -4.366
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -88.384000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.384000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.384000 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.374
local terms energy: -55.448484
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -266.020444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.020444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.020444 (E_RNA)
where:
Base-Base interactions energy: -188.420
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.488
local terms energy: -77.113108
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -216.668303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.668303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.668303 (E_RNA)
where:
Base-Base interactions energy: -139.292
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.485
local terms energy: -76.891714
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -17.843
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: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -190.542714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.542714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.542714 (E_RNA)
where:
Base-Base interactions energy: -116.061
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.043
local terms energy: -74.439325
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.712
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: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -166.906834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.906834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.906834 (E_RNA)
where:
Base-Base interactions energy: -99.442
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.017
local terms energy: -67.447494
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -126.595891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.595891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.595891 (E_RNA)
where:
Base-Base interactions energy: -78.166
where: short stacking energy: -36.894
Base-Backbone interact. energy: -0.194
local terms energy: -48.235814
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: 0.511
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: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -163.601250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.601250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.601250 (E_RNA)
where:
Base-Base interactions energy: -93.994
where: short stacking energy: -49.782
Base-Backbone interact. energy: -0.487
local terms energy: -69.119957
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -11.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -101.668903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.668903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.668903 (E_RNA)
where:
Base-Base interactions energy: -46.581
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.243
local terms energy: -54.844289
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -149.324808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.324808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.324808 (E_RNA)
where:
Base-Base interactions energy: -88.821
where: short stacking energy: -47.353
Base-Backbone interact. energy: -0.060
local terms energy: -60.444155
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -91.985502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.985502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.985502 (E_RNA)
where:
Base-Base interactions energy: -44.327
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.094
local terms energy: -47.565018
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -3.717
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: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -85.815951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.815951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.815951 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -22.505
Base-Backbone interact. energy: -0.720
local terms energy: -49.946893
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -270.504453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.504453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.504453 (E_RNA)
where:
Base-Base interactions energy: -195.158
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.395
local terms energy: -74.951628
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -204.695854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.695854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.695854 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -72.808
Base-Backbone interact. energy: -0.220
local terms energy: -78.440259
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -220.947031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.947031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.947031 (E_RNA)
where:
Base-Base interactions energy: -143.932
where: short stacking energy: -69.814
Base-Backbone interact. energy: -0.124
local terms energy: -76.891216
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -122.749660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.749660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.749660 (E_RNA)
where:
Base-Base interactions energy: -53.922
where: short stacking energy: -43.480
Base-Backbone interact. energy: -0.110
local terms energy: -68.717969
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -167.780777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.780777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.780777 (E_RNA)
where:
Base-Base interactions energy: -111.539
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.120
local terms energy: -56.121579
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -7.931
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: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -171.964922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.964922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.964922 (E_RNA)
where:
Base-Base interactions energy: -109.816
where: short stacking energy: -52.846
Base-Backbone interact. energy: -0.456
local terms energy: -61.693436
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -100.286299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.286299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.286299 (E_RNA)
where:
Base-Base interactions energy: -46.898
where: short stacking energy: -31.360
Base-Backbone interact. energy: 0.620
local terms energy: -54.007836
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -2.728
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: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -150.951711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.951711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.951711 (E_RNA)
where:
Base-Base interactions energy: -87.544
where: short stacking energy: -45.184
Base-Backbone interact. energy: 0.173
local terms energy: -63.580280
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -112.621093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.621093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.621093 (E_RNA)
where:
Base-Base interactions energy: -56.784
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.201
local terms energy: -55.635588
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -92.069600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.069600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.069600 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -31.844
Base-Backbone interact. energy: 0.035
local terms energy: -59.314135
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -259.865326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.865326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.865326 (E_RNA)
where:
Base-Base interactions energy: -189.059
where: short stacking energy: -67.017
Base-Backbone interact. energy: 1.143
local terms energy: -71.948694
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -14.774
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: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -215.702502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.702502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.702502 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.001
local terms energy: -86.624254
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -214.609818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.609818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.609818 (E_RNA)
where:
Base-Base interactions energy: -142.916
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.001
local terms energy: -71.692208
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -20.019
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: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -125.138471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.138471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.138471 (E_RNA)
where:
Base-Base interactions energy: -47.343
where: short stacking energy: -42.501
Base-Backbone interact. energy: -0.013
local terms energy: -77.782748
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -168.566447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.566447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.566447 (E_RNA)
where:
Base-Base interactions energy: -100.483
where: short stacking energy: -53.007
Base-Backbone interact. energy: 0.607
local terms energy: -68.690611
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -11.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -174.322295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.322295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.322295 (E_RNA)
where:
Base-Base interactions energy: -107.213
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.043
local terms energy: -67.065762
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -167.792968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.792968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.792968 (E_RNA)
where:
Base-Base interactions energy: -96.398
where: short stacking energy: -53.900
Base-Backbone interact. energy: -0.081
local terms energy: -71.314023
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -92.671813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.671813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.671813 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.080
local terms energy: -61.812064
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -88.990931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.990931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.990931 (E_RNA)
where:
Base-Base interactions energy: -33.156
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.287
local terms energy: -55.547434
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -7.625
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -87.009510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.009510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.009510 (E_RNA)
where:
Base-Base interactions energy: -32.028
where: short stacking energy: -29.625
Base-Backbone interact. energy: 0.174
local terms energy: -55.155629
where:
bonds (distance) C4'-P energy: -8.473
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -4.579
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: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -252.668989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.668989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.668989 (E_RNA)
where:
Base-Base interactions energy: -175.389
where: short stacking energy: -72.447
Base-Backbone interact. energy: -0.434
local terms energy: -76.846187
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -11.760
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: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -213.524906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.524906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.524906 (E_RNA)
where:
Base-Base interactions energy: -132.073
where: short stacking energy: -66.266
Base-Backbone interact. energy: 0.415
local terms energy: -81.866650
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -204.005377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.005377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.005377 (E_RNA)
where:
Base-Base interactions energy: -128.950
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.133
local terms energy: -74.921746
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -177.813220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.813220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.813220 (E_RNA)
where:
Base-Base interactions energy: -102.007
where: short stacking energy: -56.854
Base-Backbone interact. energy: 0.596
local terms energy: -76.401941
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -99.682230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.682230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.682230 (E_RNA)
where:
Base-Base interactions energy: -44.461
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.376
local terms energy: -54.845581
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -177.432591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.432591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.432591 (E_RNA)
where:
Base-Base interactions energy: -114.490
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.178
local terms energy: -62.764306
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -7.893
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: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -163.643909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.643909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.643909 (E_RNA)
where:
Base-Base interactions energy: -103.574
where: short stacking energy: -43.558
Base-Backbone interact. energy: -0.177
local terms energy: -59.892764
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -89.268527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268527 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -27.966
Base-Backbone interact. energy: -0.198
local terms energy: -50.581910
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -85.144679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144679 (E_RNA)
where:
Base-Base interactions energy: -23.611
where: short stacking energy: -23.611
Base-Backbone interact. energy: -0.103
local terms energy: -61.430377
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -4.755
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: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -85.880483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.880483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.880483 (E_RNA)
where:
Base-Base interactions energy: -30.582
where: short stacking energy: -26.525
Base-Backbone interact. energy: 0.190
local terms energy: -55.488379
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -248.999749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.999749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.999749 (E_RNA)
where:
Base-Base interactions energy: -174.024
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.231
local terms energy: -74.744810
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -14.892
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: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -207.858687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.858687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.858687 (E_RNA)
where:
Base-Base interactions energy: -127.314
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.054
local terms energy: -80.490524
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -177.271134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.271134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.271134 (E_RNA)
where:
Base-Base interactions energy: -105.790
where: short stacking energy: -71.848
Base-Backbone interact. energy: -0.033
local terms energy: -71.448461
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.905
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: 70
Temperature: 1.050000
Total energy: -206.195452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.195452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.195452 (E_RNA)
where:
Base-Base interactions energy: -120.528
where: short stacking energy: -73.984
Base-Backbone interact. energy: -0.814
local terms energy: -84.853158
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -186.210295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.210295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.210295 (E_RNA)
where:
Base-Base interactions energy: -115.073
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.307
local terms energy: -70.829879
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -99.561204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.561204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.561204 (E_RNA)
where:
Base-Base interactions energy: -36.422
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.127
local terms energy: -63.012271
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -150.411672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.411672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.411672 (E_RNA)
where:
Base-Base interactions energy: -94.723
where: short stacking energy: -37.329
Base-Backbone interact. energy: -0.467
local terms energy: -55.221385
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -0.062
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: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -101.895928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.895928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.895928 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -36.786
Base-Backbone interact. energy: -0.083
local terms energy: -65.027420
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -9.855
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: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -95.460157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.460157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.460157 (E_RNA)
where:
Base-Base interactions energy: -45.246
where: short stacking energy: -38.220
Base-Backbone interact. energy: -0.752
local terms energy: -49.461453
where:
bonds (distance) C4'-P energy: -7.688
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -77.399151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.399151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.399151 (E_RNA)
where:
Base-Base interactions energy: -27.825
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.217
local terms energy: -49.357660
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: 1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -258.468327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.468327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.468327 (E_RNA)
where:
Base-Base interactions energy: -183.939
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.146
local terms energy: -74.382836
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -190.627368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.627368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.627368 (E_RNA)
where:
Base-Base interactions energy: -111.214
where: short stacking energy: -70.497
Base-Backbone interact. energy: -0.252
local terms energy: -79.161656
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.485
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: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -209.427944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.427944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.427944 (E_RNA)
where:
Base-Base interactions energy: -130.783
where: short stacking energy: -70.444
Base-Backbone interact. energy: 0.810
local terms energy: -79.455029
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -11.890
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -188.330970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.330970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.330970 (E_RNA)
where:
Base-Base interactions energy: -112.038
where: short stacking energy: -68.837
Base-Backbone interact. energy: -0.035
local terms energy: -76.257344
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -181.594094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.594094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.594094 (E_RNA)
where:
Base-Base interactions energy: -112.690
where: short stacking energy: -45.162
Base-Backbone interact. energy: -0.722
local terms energy: -68.182154
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -158.884988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.884988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.884988 (E_RNA)
where:
Base-Base interactions energy: -90.541
where: short stacking energy: -45.393
Base-Backbone interact. energy: -0.108
local terms energy: -68.235472
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -91.792373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.792373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.792373 (E_RNA)
where:
Base-Base interactions energy: -39.679
where: short stacking energy: -36.362
Base-Backbone interact. energy: -0.209
local terms energy: -51.904035
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -9.704
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: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -87.997456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.997456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.997456 (E_RNA)
where:
Base-Base interactions energy: -30.385
where: short stacking energy: -27.438
Base-Backbone interact. energy: 0.078
local terms energy: -57.690300
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -89.599003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.599003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.599003 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -31.142
Base-Backbone interact. energy: -0.173
local terms energy: -47.083226
where:
bonds (distance) C4'-P energy: -6.666
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -12.697
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: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.509747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.509747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.509747 (E_RNA)
where:
Base-Base interactions energy: -27.423
where: short stacking energy: -11.087
Base-Backbone interact. energy: -0.554
local terms energy: -49.532358
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -260.784375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.784375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.784375 (E_RNA)
where:
Base-Base interactions energy: -181.223
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.851
local terms energy: -78.709773
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -8.725
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: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -199.241857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.241857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.241857 (E_RNA)
where:
Base-Base interactions energy: -127.596
where: short stacking energy: -69.370
Base-Backbone interact. energy: -0.564
local terms energy: -71.081649
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -199.880088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.880088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.880088 (E_RNA)
where:
Base-Base interactions energy: -131.099
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.118
local terms energy: -68.662825
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -198.580371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.580371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.580371 (E_RNA)
where:
Base-Base interactions energy: -119.220
where: short stacking energy: -62.692
Base-Backbone interact. energy: -0.012
local terms energy: -79.348419
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -15.595
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: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -187.304404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.304404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.304404 (E_RNA)
where:
Base-Base interactions energy: -115.688
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.607
local terms energy: -71.008869
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -18.217
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: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -157.156235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.156235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.156235 (E_RNA)
where:
Base-Base interactions energy: -93.214
where: short stacking energy: -57.065
Base-Backbone interact. energy: -0.064
local terms energy: -63.877956
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -11.958
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: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -110.989386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.989386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.989386 (E_RNA)
where:
Base-Base interactions energy: -50.988
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.015
local terms energy: -59.986945
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -11.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -107.998369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.998369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.998369 (E_RNA)
where:
Base-Base interactions energy: -52.493
where: short stacking energy: -31.230
Base-Backbone interact. energy: -0.353
local terms energy: -55.152038
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -100.671002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.671002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.671002 (E_RNA)
where:
Base-Base interactions energy: -44.114
where: short stacking energy: -39.218
Base-Backbone interact. energy: -0.112
local terms energy: -56.444517
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -7.651
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: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -90.902892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.902892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.902892 (E_RNA)
where:
Base-Base interactions energy: -38.519
where: short stacking energy: -32.291
Base-Backbone interact. energy: -0.062
local terms energy: -52.321853
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -260.325599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.325599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.325599 (E_RNA)
where:
Base-Base interactions energy: -185.159
where: short stacking energy: -60.043
Base-Backbone interact. energy: -0.268
local terms energy: -74.898013
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -12.568
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: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -204.390178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.390178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.390178 (E_RNA)
where:
Base-Base interactions energy: -121.928
where: short stacking energy: -67.503
Base-Backbone interact. energy: -0.095
local terms energy: -82.366818
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -190.893354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.893354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.893354 (E_RNA)
where:
Base-Base interactions energy: -106.528
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.022
local terms energy: -84.343248
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -14.585
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: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -184.250300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.250300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.250300 (E_RNA)
where:
Base-Base interactions energy: -123.789
where: short stacking energy: -57.278
Base-Backbone interact. energy: -0.168
local terms energy: -60.293772
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -180.092241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.092241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.092241 (E_RNA)
where:
Base-Base interactions energy: -112.245
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.288
local terms energy: -67.558651
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -12.807
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: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -101.358713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.358713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.358713 (E_RNA)
where:
Base-Base interactions energy: -36.657
where: short stacking energy: -30.766
Base-Backbone interact. energy: -0.196
local terms energy: -64.505627
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -138.447088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.447088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.447088 (E_RNA)
where:
Base-Base interactions energy: -79.057
where: short stacking energy: -42.076
Base-Backbone interact. energy: -0.230
local terms energy: -59.160209
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -101.692592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.692592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.692592 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.821
local terms energy: -56.383102
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -10.213
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: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -91.852069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.852069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.852069 (E_RNA)
where:
Base-Base interactions energy: -39.603
where: short stacking energy: -22.555
Base-Backbone interact. energy: -0.021
local terms energy: -52.228312
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -9.578
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: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -80.166057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.166057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.166057 (E_RNA)
where:
Base-Base interactions energy: -31.509
where: short stacking energy: -21.863
Base-Backbone interact. energy: -0.389
local terms energy: -48.268179
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -263.483738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.483738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.483738 (E_RNA)
where:
Base-Base interactions energy: -187.180
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.105
local terms energy: -76.199290
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -13.724
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: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -199.802725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.802725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.802725 (E_RNA)
where:
Base-Base interactions energy: -125.205
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.042
local terms energy: -74.555623
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -199.438463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.438463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.438463 (E_RNA)
where:
Base-Base interactions energy: -127.425
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.148
local terms energy: -71.866385
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -177.970079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.970079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.970079 (E_RNA)
where:
Base-Base interactions energy: -104.223
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.556
local terms energy: -73.190661
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -11.553
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: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -176.626640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.626640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.626640 (E_RNA)
where:
Base-Base interactions energy: -104.274
where: short stacking energy: -43.879
Base-Backbone interact. energy: -0.142
local terms energy: -72.210956
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -9.452
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: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -122.877201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.877201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.877201 (E_RNA)
where:
Base-Base interactions energy: -67.760
where: short stacking energy: -36.978
Base-Backbone interact. energy: -0.607
local terms energy: -54.510115
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -5.790
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: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -101.007114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.007114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.007114 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -33.870
Base-Backbone interact. energy: -0.192
local terms energy: -64.574358
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -109.774515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.774515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.774515 (E_RNA)
where:
Base-Base interactions energy: -54.119
where: short stacking energy: -33.405
Base-Backbone interact. energy: -0.163
local terms energy: -55.493013
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -87.673409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.673409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.673409 (E_RNA)
where:
Base-Base interactions energy: -30.410
where: short stacking energy: -27.932
Base-Backbone interact. energy: -0.232
local terms energy: -57.031637
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -75.669272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.669272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.669272 (E_RNA)
where:
Base-Base interactions energy: -39.965
where: short stacking energy: -21.185
Base-Backbone interact. energy: -0.353
local terms energy: -35.350503
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -2.743
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: 3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -263.931610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.931610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.931610 (E_RNA)
where:
Base-Base interactions energy: -192.417
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.558
local terms energy: -70.956200
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -6.622
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: 75
Temperature: 0.950000
Total energy: -195.845118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.845118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.845118 (E_RNA)
where:
Base-Base interactions energy: -131.634
where: short stacking energy: -52.296
Base-Backbone interact. energy: -0.069
local terms energy: -64.142656
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -11.833
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -206.664811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.664811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.664811 (E_RNA)
where:
Base-Base interactions energy: -128.192
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.420
local terms energy: -78.053093
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -187.891532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.891532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.891532 (E_RNA)
where:
Base-Base interactions energy: -115.074
where: short stacking energy: -63.076
Base-Backbone interact. energy: -0.034
local terms energy: -72.783713
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -165.063675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.063675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.063675 (E_RNA)
where:
Base-Base interactions energy: -96.958
where: short stacking energy: -58.652
Base-Backbone interact. energy: -0.089
local terms energy: -68.016264
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -105.865131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.865131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.865131 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -37.366
Base-Backbone interact. energy: -0.255
local terms energy: -66.995804
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -93.917361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.917361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.917361 (E_RNA)
where:
Base-Base interactions energy: -33.363
where: short stacking energy: -27.986
Base-Backbone interact. energy: -0.334
local terms energy: -60.219578
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -5.431
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -92.684355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.684355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.684355 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -33.520
Base-Backbone interact. energy: -0.308
local terms energy: -55.569256
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -3.460
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: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -77.995288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.995288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.995288 (E_RNA)
where:
Base-Base interactions energy: -30.324
where: short stacking energy: -30.324
Base-Backbone interact. energy: -0.181
local terms energy: -47.490019
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: 1.144
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: 75
Temperature: 1.350000
Total energy: -82.107628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.107628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.107628 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.161
local terms energy: -52.872784
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -2.831
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -257.305444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.305444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.305444 (E_RNA)
where:
Base-Base interactions energy: -185.226
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.963
local terms energy: -71.116234
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -201.293688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.293688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.293688 (E_RNA)
where:
Base-Base interactions energy: -127.578
where: short stacking energy: -64.436
Base-Backbone interact. energy: -0.173
local terms energy: -73.541730
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -214.744402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.744402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.744402 (E_RNA)
where:
Base-Base interactions energy: -135.822
where: short stacking energy: -67.147
Base-Backbone interact. energy: -0.010
local terms energy: -78.913351
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -181.654107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.654107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.654107 (E_RNA)
where:
Base-Base interactions energy: -120.754
where: short stacking energy: -52.295
Base-Backbone interact. energy: -0.541
local terms energy: -60.359428
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -157.833741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.833741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.833741 (E_RNA)
where:
Base-Base interactions energy: -88.724
where: short stacking energy: -51.778
Base-Backbone interact. energy: -0.355
local terms energy: -68.755160
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -12.631
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: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -126.100024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.100024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.100024 (E_RNA)
where:
Base-Base interactions energy: -58.902
where: short stacking energy: -32.763
Base-Backbone interact. energy: -1.551
local terms energy: -65.646177
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -107.194741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.194741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.194741 (E_RNA)
where:
Base-Base interactions energy: -47.997
where: short stacking energy: -41.429
Base-Backbone interact. energy: -0.307
local terms energy: -58.891230
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -89.305874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.305874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.305874 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -31.885
Base-Backbone interact. energy: 0.490
local terms energy: -57.592079
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -11.390
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: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -93.143101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.143101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.143101 (E_RNA)
where:
Base-Base interactions energy: -37.413
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.007
local terms energy: -55.723247
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -5.744
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: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -83.394413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.394413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.394413 (E_RNA)
where:
Base-Base interactions energy: -27.544
where: short stacking energy: -26.791
Base-Backbone interact. energy: -0.481
local terms energy: -55.369590
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -259.842001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.842001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.842001 (E_RNA)
where:
Base-Base interactions energy: -190.162
where: short stacking energy: -61.055
Base-Backbone interact. energy: -2.009
local terms energy: -67.671546
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -217.193573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.193573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.193573 (E_RNA)
where:
Base-Base interactions energy: -145.189
where: short stacking energy: -69.596
Base-Backbone interact. energy: -1.069
local terms energy: -70.935983
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -201.250085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.250085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.250085 (E_RNA)
where:
Base-Base interactions energy: -119.115
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.002
local terms energy: -82.133137
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -173.804060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.804060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.804060 (E_RNA)
where:
Base-Base interactions energy: -109.005
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.020
local terms energy: -64.779331
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -5.568
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: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -205.538966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.538966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.538966 (E_RNA)
where:
Base-Base interactions energy: -130.505
where: short stacking energy: -66.940
Base-Backbone interact. energy: -0.114
local terms energy: -74.919932
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -113.997898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.997898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.997898 (E_RNA)
where:
Base-Base interactions energy: -52.865
where: short stacking energy: -36.107
Base-Backbone interact. energy: -0.226
local terms energy: -60.906763
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -3.760
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: 77
Temperature: 1.200000
Total energy: -97.915361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.915361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.915361 (E_RNA)
where:
Base-Base interactions energy: -34.413
where: short stacking energy: -34.413
Base-Backbone interact. energy: -0.275
local terms energy: -63.227222
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.939
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: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -100.320927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.320927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.320927 (E_RNA)
where:
Base-Base interactions energy: -47.795
where: short stacking energy: -26.679
Base-Backbone interact. energy: 0.900
local terms energy: -53.425437
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.101
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: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -77.124894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124894 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -29.183
Base-Backbone interact. energy: 3.874
local terms energy: -51.816209
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -94.845326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.845326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.845326 (E_RNA)
where:
Base-Base interactions energy: -46.565
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.118
local terms energy: -48.163081
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -6.236
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: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -254.211394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.211394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.211394 (E_RNA)
where:
Base-Base interactions energy: -180.122
where: short stacking energy: -66.113
Base-Backbone interact. energy: -0.278
local terms energy: -73.811461
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -14.127
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: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -228.341453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.341453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.341453 (E_RNA)
where:
Base-Base interactions energy: -154.842
where: short stacking energy: -72.972
Base-Backbone interact. energy: -0.009
local terms energy: -73.490913
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -17.970
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: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -199.194401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.194401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.194401 (E_RNA)
where:
Base-Base interactions energy: -124.227
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.154
local terms energy: -74.813603
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -169.853528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.853528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.853528 (E_RNA)
where:
Base-Base interactions energy: -100.893
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.025
local terms energy: -68.935473
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -5.942
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: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -191.379143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.379143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.379143 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -54.178
Base-Backbone interact. energy: -0.270
local terms energy: -63.392059
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -114.692273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.692273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.692273 (E_RNA)
where:
Base-Base interactions energy: -53.212
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.466
local terms energy: -61.014148
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -103.422700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.422700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.422700 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -37.090
Base-Backbone interact. energy: -0.595
local terms energy: -61.800701
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -111.288933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.288933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.288933 (E_RNA)
where:
Base-Base interactions energy: -46.439
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.243
local terms energy: -64.607218
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -11.527
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -88.684499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.684499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.684499 (E_RNA)
where:
Base-Base interactions energy: -39.466
where: short stacking energy: -35.623
Base-Backbone interact. energy: -0.135
local terms energy: -49.083961
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -5.796
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: 2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.764298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764298 (E_RNA)
where:
Base-Base interactions energy: -25.943
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.040
local terms energy: -52.781263
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -256.077561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.077561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.077561 (E_RNA)
where:
Base-Base interactions energy: -177.467
where: short stacking energy: -73.389
Base-Backbone interact. energy: 1.087
local terms energy: -79.697535
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -212.526237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.526237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.526237 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.103
local terms energy: -73.073379
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -210.877370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.877370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.877370 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.045
local terms energy: -78.645687
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -185.841903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.841903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.841903 (E_RNA)
where:
Base-Base interactions energy: -117.462
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.996
local terms energy: -67.383582
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -149.324998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.324998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.324998 (E_RNA)
where:
Base-Base interactions energy: -90.801
where: short stacking energy: -54.363
Base-Backbone interact. energy: -0.694
local terms energy: -57.830308
where:
bonds (distance) C4'-P energy: -8.202
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.653
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: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -109.273221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.273221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.273221 (E_RNA)
where:
Base-Base interactions energy: -53.044
where: short stacking energy: -39.218
Base-Backbone interact. energy: -2.096
local terms energy: -54.133147
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -7.267
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -103.909908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.909908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.909908 (E_RNA)
where:
Base-Base interactions energy: -43.143
where: short stacking energy: -40.598
Base-Backbone interact. energy: -0.530
local terms energy: -60.237733
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -99.260966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.260966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.260966 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -30.962
Base-Backbone interact. energy: -0.233
local terms energy: -62.428538
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -5.629
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: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -83.965406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.965406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.965406 (E_RNA)
where:
Base-Base interactions energy: -30.988
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.223
local terms energy: -52.754249
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -82.985875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.985875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.985875 (E_RNA)
where:
Base-Base interactions energy: -27.323
where: short stacking energy: -25.797
Base-Backbone interact. energy: -1.584
local terms energy: -54.078691
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -254.103150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.103150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.103150 (E_RNA)
where:
Base-Base interactions energy: -179.625
where: short stacking energy: -72.356
Base-Backbone interact. energy: -1.096
local terms energy: -73.382886
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -14.489
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: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -220.039640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.039640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.039640 (E_RNA)
where:
Base-Base interactions energy: -139.553
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.633
local terms energy: -79.853572
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -11.030
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: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -219.538770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.538770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.538770 (E_RNA)
where:
Base-Base interactions energy: -137.715
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.001
local terms energy: -81.823275
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -176.388487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.388487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.388487 (E_RNA)
where:
Base-Base interactions energy: -113.480
where: short stacking energy: -58.617
Base-Backbone interact. energy: -0.564
local terms energy: -62.343598
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -116.002333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.002333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.002333 (E_RNA)
where:
Base-Base interactions energy: -69.086
where: short stacking energy: -34.211
Base-Backbone interact. energy: -0.117
local terms energy: -46.799305
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -6.065
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: 2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -127.173102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.173102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.173102 (E_RNA)
where:
Base-Base interactions energy: -78.068
where: short stacking energy: -38.560
Base-Backbone interact. energy: -1.331
local terms energy: -47.774661
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -8.069
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -12.335
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: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -100.424344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.424344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.424344 (E_RNA)
where:
Base-Base interactions energy: -41.138
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.373
local terms energy: -58.913560
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.785
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: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -102.309085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.309085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.309085 (E_RNA)
where:
Base-Base interactions energy: -46.334
where: short stacking energy: -45.642
Base-Backbone interact. energy: -0.414
local terms energy: -55.560489
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -91.098570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.098570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.098570 (E_RNA)
where:
Base-Base interactions energy: -28.399
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.270
local terms energy: -62.428980
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -85.840081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.840081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.840081 (E_RNA)
where:
Base-Base interactions energy: -43.081
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.113
local terms energy: -42.646185
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -248.196656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.196656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.196656 (E_RNA)
where:
Base-Base interactions energy: -174.111
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.049
local terms energy: -74.035807
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -220.407718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.407718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.407718 (E_RNA)
where:
Base-Base interactions energy: -138.687
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.107
local terms energy: -81.612916
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -21.910
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: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -222.343053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.343053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.343053 (E_RNA)
where:
Base-Base interactions energy: -152.504
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.098
local terms energy: -69.741488
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -2.483
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -118.898516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.898516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.898516 (E_RNA)
where:
Base-Base interactions energy: -60.024
where: short stacking energy: -42.678
Base-Backbone interact. energy: -0.060
local terms energy: -58.814822
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -184.364295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.364295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.364295 (E_RNA)
where:
Base-Base interactions energy: -113.104
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.425
local terms energy: -70.835101
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -107.896843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.896843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.896843 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -39.846
Base-Backbone interact. energy: -0.156
local terms energy: -67.895180
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -128.792078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.792078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.792078 (E_RNA)
where:
Base-Base interactions energy: -80.698
where: short stacking energy: -41.857
Base-Backbone interact. energy: 0.113
local terms energy: -48.206960
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -3.512
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: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -98.913485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.913485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.913485 (E_RNA)
where:
Base-Base interactions energy: -41.429
where: short stacking energy: -38.596
Base-Backbone interact. energy: 4.892
local terms energy: -62.376030
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -7.985
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: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -83.128137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.128137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.128137 (E_RNA)
where:
Base-Base interactions energy: -28.446
where: short stacking energy: -22.664
Base-Backbone interact. energy: -0.419
local terms energy: -54.263442
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -4.154
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: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -81.759296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.759296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.759296 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.224
local terms energy: -52.616098
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -255.132879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.132879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.132879 (E_RNA)
where:
Base-Base interactions energy: -183.390
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.260
local terms energy: -71.482135
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -14.992
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: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -223.645474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.645474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.645474 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -69.009
Base-Backbone interact. energy: -0.032
local terms energy: -85.490606
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -206.456630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.456630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.456630 (E_RNA)
where:
Base-Base interactions energy: -132.183
where: short stacking energy: -61.850
Base-Backbone interact. energy: 0.330
local terms energy: -74.603130
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -129.785258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.785258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.785258 (E_RNA)
where:
Base-Base interactions energy: -60.787
where: short stacking energy: -45.867
Base-Backbone interact. energy: -0.699
local terms energy: -68.299289
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -181.868412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.868412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.868412 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -54.657
Base-Backbone interact. energy: -0.091
local terms energy: -78.392091
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -13.410
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: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -106.498161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.498161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.498161 (E_RNA)
where:
Base-Base interactions energy: -41.561
where: short stacking energy: -39.360
Base-Backbone interact. energy: 0.270
local terms energy: -65.206879
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -7.898
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: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -102.362630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.362630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.362630 (E_RNA)
where:
Base-Base interactions energy: -32.782
where: short stacking energy: -32.356
Base-Backbone interact. energy: -0.128
local terms energy: -69.452725
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -98.436860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.436860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.436860 (E_RNA)
where:
Base-Base interactions energy: -44.941
where: short stacking energy: -38.166
Base-Backbone interact. energy: -0.222
local terms energy: -53.274055
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -6.436
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: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -86.645773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.645773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.645773 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -31.988
Base-Backbone interact. energy: 0.525
local terms energy: -45.586346
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -94.921962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921962 (E_RNA)
where:
Base-Base interactions energy: -40.299
where: short stacking energy: -25.994
Base-Backbone interact. energy: -0.048
local terms energy: -54.575502
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -261.567355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.567355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.567355 (E_RNA)
where:
Base-Base interactions energy: -186.965
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.127
local terms energy: -74.476054
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -5.794
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: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -221.317747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.317747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.317747 (E_RNA)
where:
Base-Base interactions energy: -142.793
where: short stacking energy: -68.261
Base-Backbone interact. energy: -0.020
local terms energy: -78.504204
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -13.944
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: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -215.704393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.704393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.704393 (E_RNA)
where:
Base-Base interactions energy: -145.618
where: short stacking energy: -69.626
Base-Backbone interact. energy: -0.007
local terms energy: -70.079170
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -173.864239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.864239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.864239 (E_RNA)
where:
Base-Base interactions energy: -110.260
where: short stacking energy: -49.272
Base-Backbone interact. energy: -0.294
local terms energy: -63.310514
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -111.053021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.053021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.053021 (E_RNA)
where:
Base-Base interactions energy: -59.416
where: short stacking energy: -42.501
Base-Backbone interact. energy: -0.242
local terms energy: -51.394075
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -104.541987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.541987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.541987 (E_RNA)
where:
Base-Base interactions energy: -48.428
where: short stacking energy: -34.752
Base-Backbone interact. energy: -0.693
local terms energy: -55.420794
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -104.593819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.593819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.593819 (E_RNA)
where:
Base-Base interactions energy: -47.890
where: short stacking energy: -35.331
Base-Backbone interact. energy: -0.178
local terms energy: -56.525781
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -90.995692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.995692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.995692 (E_RNA)
where:
Base-Base interactions energy: -41.553
where: short stacking energy: -28.132
Base-Backbone interact. energy: 0.705
local terms energy: -50.147606
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: 3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -99.641425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.641425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.641425 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.474
local terms energy: -61.876557
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -77.095306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.095306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.095306 (E_RNA)
where:
Base-Base interactions energy: -27.261
where: short stacking energy: -27.261
Base-Backbone interact. energy: -0.197
local terms energy: -49.637518
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -225.842470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.842470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.842470 (E_RNA)
where:
Base-Base interactions energy: -150.162
where: short stacking energy: -71.071
Base-Backbone interact. energy: -1.427
local terms energy: -74.252765
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -250.282443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.282443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.282443 (E_RNA)
where:
Base-Base interactions energy: -177.957
where: short stacking energy: -60.161
Base-Backbone interact. energy: 0.280
local terms energy: -72.605649
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -227.628655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.628655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.628655 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -63.682
Base-Backbone interact. energy: 0.350
local terms energy: -72.719022
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -17.189
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: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -169.798298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.798298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.798298 (E_RNA)
where:
Base-Base interactions energy: -100.942
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.173
local terms energy: -68.683239
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -108.246311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.246311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.246311 (E_RNA)
where:
Base-Base interactions energy: -55.643
where: short stacking energy: -39.540
Base-Backbone interact. energy: -0.113
local terms energy: -52.490311
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -117.494340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.494340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.494340 (E_RNA)
where:
Base-Base interactions energy: -60.581
where: short stacking energy: -45.707
Base-Backbone interact. energy: -0.269
local terms energy: -56.645057
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -92.270770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.270770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.270770 (E_RNA)
where:
Base-Base interactions energy: -42.908
where: short stacking energy: -42.056
Base-Backbone interact. energy: 0.835
local terms energy: -50.197966
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -6.911
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: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -91.542098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.542098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.542098 (E_RNA)
where:
Base-Base interactions energy: -33.224
where: short stacking energy: -26.028
Base-Backbone interact. energy: -1.524
local terms energy: -56.794379
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -96.854565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.854565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.854565 (E_RNA)
where:
Base-Base interactions energy: -41.665
where: short stacking energy: -39.104
Base-Backbone interact. energy: 2.015
local terms energy: -57.205020
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -81.934421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.934421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.934421 (E_RNA)
where:
Base-Base interactions energy: -35.551
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.247
local terms energy: -46.136994
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.747
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: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -220.446399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.446399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.446399 (E_RNA)
where:
Base-Base interactions energy: -141.420
where: short stacking energy: -62.319
Base-Backbone interact. energy: -0.280
local terms energy: -78.745722
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -229.665129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.665129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.665129 (E_RNA)
where:
Base-Base interactions energy: -158.390
where: short stacking energy: -74.388
Base-Backbone interact. energy: -0.730
local terms energy: -70.545089
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -16.105
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -255.153469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.153469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.153469 (E_RNA)
where:
Base-Base interactions energy: -182.081
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.415
local terms energy: -72.657975
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -4.519
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: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -186.574674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574674 (E_RNA)
where:
Base-Base interactions energy: -113.000
where: short stacking energy: -56.453
Base-Backbone interact. energy: -1.010
local terms energy: -72.564644
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -118.893645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.893645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.893645 (E_RNA)
where:
Base-Base interactions energy: -52.021
where: short stacking energy: -46.842
Base-Backbone interact. energy: -0.176
local terms energy: -66.697049
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -105.819335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.819335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.819335 (E_RNA)
where:
Base-Base interactions energy: -51.578
where: short stacking energy: -48.384
Base-Backbone interact. energy: 0.062
local terms energy: -54.303449
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -7.825
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -108.563725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.563725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.563725 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -37.324
Base-Backbone interact. energy: -0.241
local terms energy: -67.393364
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -97.337077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.337077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.337077 (E_RNA)
where:
Base-Base interactions energy: -40.111
where: short stacking energy: -40.111
Base-Backbone interact. energy: -0.129
local terms energy: -57.097344
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -82.101292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.101292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.101292 (E_RNA)
where:
Base-Base interactions energy: -32.246
where: short stacking energy: -29.949
Base-Backbone interact. energy: -1.443
local terms energy: -48.412384
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -91.673082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.673082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.673082 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -35.546
Base-Backbone interact. energy: -0.165
local terms energy: -52.276869
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -4.786
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: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -229.605791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.605791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.605791 (E_RNA)
where:
Base-Base interactions energy: -153.034
where: short stacking energy: -74.408
Base-Backbone interact. energy: -0.393
local terms energy: -76.179129
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -212.127162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.127162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.127162 (E_RNA)
where:
Base-Base interactions energy: -139.259
where: short stacking energy: -60.809
Base-Backbone interact. energy: 2.275
local terms energy: -75.142684
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -247.092544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.092544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.092544 (E_RNA)
where:
Base-Base interactions energy: -172.343
where: short stacking energy: -64.971
Base-Backbone interact. energy: 1.058
local terms energy: -75.807064
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -200.256600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.256600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.256600 (E_RNA)
where:
Base-Base interactions energy: -128.713
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.035
local terms energy: -71.508906
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -9.398
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: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -116.047930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.047930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.047930 (E_RNA)
where:
Base-Base interactions energy: -47.560
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.897
local terms energy: -67.590440
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -100.052322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.052322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.052322 (E_RNA)
where:
Base-Base interactions energy: -40.366
where: short stacking energy: -39.920
Base-Backbone interact. energy: -0.035
local terms energy: -59.651142
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -86.895776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.895776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.895776 (E_RNA)
where:
Base-Base interactions energy: -26.336
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.272
local terms energy: -60.288320
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -102.166250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.166250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.166250 (E_RNA)
where:
Base-Base interactions energy: -51.071
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.124
local terms energy: -50.971395
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -82.127619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.127619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.127619 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.546
local terms energy: -50.537863
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: 1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -82.256921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.256921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.256921 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -31.062
Base-Backbone interact. energy: -0.192
local terms energy: -50.465619
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -232.730520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.730520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.730520 (E_RNA)
where:
Base-Base interactions energy: -147.072
where: short stacking energy: -73.777
Base-Backbone interact. energy: -0.096
local terms energy: -85.562206
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -248.792287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.792287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.792287 (E_RNA)
where:
Base-Base interactions energy: -171.598
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.097
local terms energy: -77.098123
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -16.613
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: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -211.475790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.475790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.475790 (E_RNA)
where:
Base-Base interactions energy: -128.992
where: short stacking energy: -69.483
Base-Backbone interact. energy: -0.070
local terms energy: -82.413462
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -183.282869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.282869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.282869 (E_RNA)
where:
Base-Base interactions energy: -120.924
where: short stacking energy: -48.470
Base-Backbone interact. energy: -1.472
local terms energy: -60.887473
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -122.623417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.623417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.623417 (E_RNA)
where:
Base-Base interactions energy: -53.516
where: short stacking energy: -53.516
Base-Backbone interact. energy: -0.813
local terms energy: -68.294054
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -99.423415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.423415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.423415 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -39.748
Base-Backbone interact. energy: -0.205
local terms energy: -59.121333
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -94.750182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.750182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.750182 (E_RNA)
where:
Base-Base interactions energy: -40.636
where: short stacking energy: -36.625
Base-Backbone interact. energy: 1.882
local terms energy: -55.996053
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -103.179952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.179952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.179952 (E_RNA)
where:
Base-Base interactions energy: -44.308
where: short stacking energy: -43.942
Base-Backbone interact. energy: -1.053
local terms energy: -57.819601
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -6.980
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: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -112.286477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.286477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.286477 (E_RNA)
where:
Base-Base interactions energy: -48.201
where: short stacking energy: -41.529
Base-Backbone interact. energy: -0.885
local terms energy: -63.200227
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -83.578160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578160 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -25.871
Base-Backbone interact. energy: -0.201
local terms energy: -53.560680
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -11.753
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: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -253.873201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.873201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.873201 (E_RNA)
where:
Base-Base interactions energy: -178.879
where: short stacking energy: -74.330
Base-Backbone interact. energy: -0.152
local terms energy: -74.842629
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -218.410273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.410273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.410273 (E_RNA)
where:
Base-Base interactions energy: -150.020
where: short stacking energy: -71.558
Base-Backbone interact. energy: 0.080
local terms energy: -68.470760
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -202.771637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.771637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.771637 (E_RNA)
where:
Base-Base interactions energy: -125.258
where: short stacking energy: -56.722
Base-Backbone interact. energy: 0.141
local terms energy: -77.655187
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -18.415
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: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -174.546368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.546368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.546368 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -62.792
Base-Backbone interact. energy: -0.206
local terms energy: -69.486060
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -121.903743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.903743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.903743 (E_RNA)
where:
Base-Base interactions energy: -59.072
where: short stacking energy: -52.792
Base-Backbone interact. energy: -0.027
local terms energy: -62.804642
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -102.774509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.774509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.774509 (E_RNA)
where:
Base-Base interactions energy: -39.797
where: short stacking energy: -39.797
Base-Backbone interact. energy: -0.194
local terms energy: -62.783861
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -97.531572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.531572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.531572 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -37.567
Base-Backbone interact. energy: -0.306
local terms energy: -59.088365
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -94.572175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.572175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.572175 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.217
local terms energy: -60.794188
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -80.199005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.199005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.199005 (E_RNA)
where:
Base-Base interactions energy: -26.651
where: short stacking energy: -26.651
Base-Backbone interact. energy: -0.160
local terms energy: -53.387731
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -80.330857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.330857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.330857 (E_RNA)
where:
Base-Base interactions energy: -21.487
where: short stacking energy: -18.444
Base-Backbone interact. energy: -0.305
local terms energy: -58.538214
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -259.195515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.195515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.195515 (E_RNA)
where:
Base-Base interactions energy: -179.973
where: short stacking energy: -75.676
Base-Backbone interact. energy: -0.436
local terms energy: -78.786533
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -226.533126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.533126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.533126 (E_RNA)
where:
Base-Base interactions energy: -144.808
where: short stacking energy: -73.743
Base-Backbone interact. energy: -0.911
local terms energy: -80.814305
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.138
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: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -200.718496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.718496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.718496 (E_RNA)
where:
Base-Base interactions energy: -123.255
where: short stacking energy: -51.526
Base-Backbone interact. energy: -0.214
local terms energy: -77.249742
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -190.152593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.152593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.152593 (E_RNA)
where:
Base-Base interactions energy: -119.941
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.047
local terms energy: -70.164229
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -14.800
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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -113.529478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.529478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.529478 (E_RNA)
where:
Base-Base interactions energy: -45.423
where: short stacking energy: -44.708
Base-Backbone interact. energy: -0.671
local terms energy: -67.435754
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -102.131368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.131368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.131368 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.296
local terms energy: -62.469799
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -99.282228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.282228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.282228 (E_RNA)
where:
Base-Base interactions energy: -40.078
where: short stacking energy: -37.156
Base-Backbone interact. energy: -2.126
local terms energy: -57.077703
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -107.078848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.078848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.078848 (E_RNA)
where:
Base-Base interactions energy: -51.426
where: short stacking energy: -31.894
Base-Backbone interact. energy: -0.167
local terms energy: -55.486342
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: 0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -86.338896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.338896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.338896 (E_RNA)
where:
Base-Base interactions energy: -29.099
where: short stacking energy: -21.234
Base-Backbone interact. energy: -1.095
local terms energy: -56.145433
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -86.915329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915329 (E_RNA)
where:
Base-Base interactions energy: -31.023
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.092
local terms energy: -55.799685
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -249.711647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.711647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.711647 (E_RNA)
where:
Base-Base interactions energy: -173.428
where: short stacking energy: -70.736
Base-Backbone interact. energy: 0.079
local terms energy: -76.362223
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -230.446879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.446879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.446879 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.035
local terms energy: -81.425128
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -17.686
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: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -192.373792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.373792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.373792 (E_RNA)
where:
Base-Base interactions energy: -111.115
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.131
local terms energy: -81.127516
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -203.114315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.114315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.114315 (E_RNA)
where:
Base-Base interactions energy: -133.432
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.015
local terms energy: -69.667156
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -105.114311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.114311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.114311 (E_RNA)
where:
Base-Base interactions energy: -39.679
where: short stacking energy: -39.679
Base-Backbone interact. energy: -0.244
local terms energy: -65.191702
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -8.636
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: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -99.764044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.764044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.764044 (E_RNA)
where:
Base-Base interactions energy: -51.880
where: short stacking energy: -37.100
Base-Backbone interact. energy: -0.114
local terms energy: -47.769298
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -108.818095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.818095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.818095 (E_RNA)
where:
Base-Base interactions energy: -49.247
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.136
local terms energy: -59.434518
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -6.522
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: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -116.131058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.131058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.131058 (E_RNA)
where:
Base-Base interactions energy: -56.915
where: short stacking energy: -46.874
Base-Backbone interact. energy: -0.457
local terms energy: -58.758737
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -8.318
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: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -103.445523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.445523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.445523 (E_RNA)
where:
Base-Base interactions energy: -39.048
where: short stacking energy: -39.048
Base-Backbone interact. energy: 2.494
local terms energy: -66.891044
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -10.651
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: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -84.328117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.328117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.328117 (E_RNA)
where:
Base-Base interactions energy: -25.837
where: short stacking energy: -25.837
Base-Backbone interact. energy: 0.893
local terms energy: -59.384168
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -247.178401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.178401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.178401 (E_RNA)
where:
Base-Base interactions energy: -164.190
where: short stacking energy: -73.762
Base-Backbone interact. energy: -0.719
local terms energy: -82.269267
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -228.577605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.577605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.577605 (E_RNA)
where:
Base-Base interactions energy: -150.874
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.310
local terms energy: -77.393506
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -173.385531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.385531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.385531 (E_RNA)
where:
Base-Base interactions energy: -107.271
where: short stacking energy: -54.123
Base-Backbone interact. energy: -0.415
local terms energy: -65.699881
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -10.898
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: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -211.130159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.130159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.130159 (E_RNA)
where:
Base-Base interactions energy: -142.170
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.849
local terms energy: -68.111481
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -123.002841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.002841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.002841 (E_RNA)
where:
Base-Base interactions energy: -64.606
where: short stacking energy: -46.204
Base-Backbone interact. energy: -0.219
local terms energy: -58.177657
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -90.637364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.637364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.637364 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.272
local terms energy: -59.890925
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -97.129551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.129551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.129551 (E_RNA)
where:
Base-Base interactions energy: -40.244
where: short stacking energy: -34.565
Base-Backbone interact. energy: 3.970
local terms energy: -60.855865
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -99.746686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.746686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.746686 (E_RNA)
where:
Base-Base interactions energy: -46.059
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.052
local terms energy: -53.635830
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.337
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: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -104.171311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.171311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.171311 (E_RNA)
where:
Base-Base interactions energy: -60.224
where: short stacking energy: -18.480
Base-Backbone interact. energy: -0.445
local terms energy: -43.502739
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: 3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -78.508796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.508796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.508796 (E_RNA)
where:
Base-Base interactions energy: -26.141
where: short stacking energy: -22.974
Base-Backbone interact. energy: -0.278
local terms energy: -52.090240
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -1.286
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: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -243.841448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.841448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.841448 (E_RNA)
where:
Base-Base interactions energy: -156.342
where: short stacking energy: -75.236
Base-Backbone interact. energy: -0.526
local terms energy: -86.973299
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -222.875082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.875082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.875082 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -61.528
Base-Backbone interact. energy: -0.072
local terms energy: -78.982095
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -17.847
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: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -220.584895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.584895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.584895 (E_RNA)
where:
Base-Base interactions energy: -147.002
where: short stacking energy: -71.835
Base-Backbone interact. energy: 0.264
local terms energy: -73.847328
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -195.070312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.070312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.070312 (E_RNA)
where:
Base-Base interactions energy: -118.953
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.388
local terms energy: -75.730046
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -134.596786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.596786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.596786 (E_RNA)
where:
Base-Base interactions energy: -62.658
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.224
local terms energy: -71.714245
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -145.931953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.931953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.931953 (E_RNA)
where:
Base-Base interactions energy: -77.112
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.006
local terms energy: -68.814567
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -14.530
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: 92
Temperature: 1.200000
Total energy: -99.904087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.904087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.904087 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -31.859
Base-Backbone interact. energy: -0.075
local terms energy: -59.897194
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -91.534244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.534244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.534244 (E_RNA)
where:
Base-Base interactions energy: -36.523
where: short stacking energy: -34.595
Base-Backbone interact. energy: 0.081
local terms energy: -55.092152
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -10.735
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: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -86.728925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.728925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.728925 (E_RNA)
where:
Base-Base interactions energy: -31.228
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.092
local terms energy: -55.408274
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.963
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: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -92.152658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152658 (E_RNA)
where:
Base-Base interactions energy: -35.383
where: short stacking energy: -35.683
Base-Backbone interact. energy: 0.793
local terms energy: -57.562586
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -255.836567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.836567 (E_RNA)
where:
Base-Base interactions energy: -172.733
where: short stacking energy: -74.434
Base-Backbone interact. energy: -0.378
local terms energy: -82.726174
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -221.762101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.762101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.762101 (E_RNA)
where:
Base-Base interactions energy: -138.321
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.003
local terms energy: -83.437955
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -21.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -232.017695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.017695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.017695 (E_RNA)
where:
Base-Base interactions energy: -155.236
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.169
local terms energy: -76.613041
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -180.508093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.508093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.508093 (E_RNA)
where:
Base-Base interactions energy: -116.225
where: short stacking energy: -57.402
Base-Backbone interact. energy: 0.226
local terms energy: -64.509306
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -12.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -126.325269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.325269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.325269 (E_RNA)
where:
Base-Base interactions energy: -55.549
where: short stacking energy: -48.771
Base-Backbone interact. energy: -0.096
local terms energy: -70.680256
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -12.037
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: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -169.415934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.415934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.415934 (E_RNA)
where:
Base-Base interactions energy: -109.390
where: short stacking energy: -51.801
Base-Backbone interact. energy: -0.038
local terms energy: -59.988247
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -93.622826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.622826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.622826 (E_RNA)
where:
Base-Base interactions energy: -40.916
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.144
local terms energy: -52.562349
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -11.006
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: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -95.705339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705339 (E_RNA)
where:
Base-Base interactions energy: -38.473
where: short stacking energy: -34.313
Base-Backbone interact. energy: 0.252
local terms energy: -57.484212
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -87.209582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.209582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.209582 (E_RNA)
where:
Base-Base interactions energy: -38.105
where: short stacking energy: -37.384
Base-Backbone interact. energy: -0.490
local terms energy: -48.614551
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -92.314712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.314712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.314712 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.097
local terms energy: -58.873130
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -255.015427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.015427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.015427 (E_RNA)
where:
Base-Base interactions energy: -170.659
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.260
local terms energy: -84.095963
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -19.889
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: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -215.364940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.364940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.364940 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.106
local terms energy: -78.058365
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -216.360972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.360972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.360972 (E_RNA)
where:
Base-Base interactions energy: -139.348
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.005
local terms energy: -77.007982
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -191.445905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.445905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.445905 (E_RNA)
where:
Base-Base interactions energy: -124.984
where: short stacking energy: -57.105
Base-Backbone interact. energy: 1.515
local terms energy: -67.976821
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -166.494602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.494602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.494602 (E_RNA)
where:
Base-Base interactions energy: -101.815
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.015
local terms energy: -64.665085
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -9.412
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -129.180600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.180600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.180600 (E_RNA)
where:
Base-Base interactions energy: -70.753
where: short stacking energy: -42.012
Base-Backbone interact. energy: -0.245
local terms energy: -58.183123
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -8.696
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: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -97.895408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.895408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.895408 (E_RNA)
where:
Base-Base interactions energy: -39.648
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.112
local terms energy: -58.135069
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -10.776
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: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -94.795597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.795597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.795597 (E_RNA)
where:
Base-Base interactions energy: -43.507
where: short stacking energy: -38.016
Base-Backbone interact. energy: -0.078
local terms energy: -51.210194
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -76.505579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.505579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.505579 (E_RNA)
where:
Base-Base interactions energy: -29.124
where: short stacking energy: -25.200
Base-Backbone interact. energy: -0.151
local terms energy: -47.231243
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -0.214
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: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -72.887170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.887170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.887170 (E_RNA)
where:
Base-Base interactions energy: -24.277
where: short stacking energy: -24.277
Base-Backbone interact. energy: -0.371
local terms energy: -48.238542
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -256.653377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.653377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.653377 (E_RNA)
where:
Base-Base interactions energy: -181.655
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.098
local terms energy: -74.900382
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -210.127523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.127523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.127523 (E_RNA)
where:
Base-Base interactions energy: -134.341
where: short stacking energy: -69.810
Base-Backbone interact. energy: -0.166
local terms energy: -75.620692
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -9.707
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: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -199.056536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.056536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.056536 (E_RNA)
where:
Base-Base interactions energy: -135.538
where: short stacking energy: -64.342
Base-Backbone interact. energy: -1.248
local terms energy: -62.270416
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -190.756736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.756736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.756736 (E_RNA)
where:
Base-Base interactions energy: -120.178
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.024
local terms energy: -70.554547
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -11.903
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: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -195.623204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.623204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.623204 (E_RNA)
where:
Base-Base interactions energy: -124.831
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.091
local terms energy: -70.701370
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -102.175589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.175589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.175589 (E_RNA)
where:
Base-Base interactions energy: -41.713
where: short stacking energy: -41.280
Base-Backbone interact. energy: -0.089
local terms energy: -60.373592
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -169.728033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.728033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.728033 (E_RNA)
where:
Base-Base interactions energy: -92.981
where: short stacking energy: -54.224
Base-Backbone interact. energy: -0.177
local terms energy: -76.569687
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -100.202120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.202120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.202120 (E_RNA)
where:
Base-Base interactions energy: -51.223
where: short stacking energy: -42.285
Base-Backbone interact. energy: 0.469
local terms energy: -49.447960
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -80.110303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.110303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.110303 (E_RNA)
where:
Base-Base interactions energy: -32.552
where: short stacking energy: -24.057
Base-Backbone interact. energy: 0.372
local terms energy: -47.930620
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -91.394264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.394264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.394264 (E_RNA)
where:
Base-Base interactions energy: -44.220
where: short stacking energy: -32.210
Base-Backbone interact. energy: -0.003
local terms energy: -47.171796
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -9.263
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -13.865
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: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -253.321453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.321453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.321453 (E_RNA)
where:
Base-Base interactions energy: -178.802
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.919
local terms energy: -73.600731
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -13.574
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: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -214.800161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.800161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.800161 (E_RNA)
where:
Base-Base interactions energy: -141.260
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.185
local terms energy: -73.355082
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.018
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: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -206.220990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.220990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.220990 (E_RNA)
where:
Base-Base interactions energy: -126.811
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.108
local terms energy: -79.301636
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -9.332
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: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -190.675908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.675908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.675908 (E_RNA)
where:
Base-Base interactions energy: -123.633
where: short stacking energy: -52.911
Base-Backbone interact. energy: -0.093
local terms energy: -66.950440
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -188.165535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.165535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.165535 (E_RNA)
where:
Base-Base interactions energy: -116.795
where: short stacking energy: -58.399
Base-Backbone interact. energy: -0.045
local terms energy: -71.325358
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -108.420073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.420073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.420073 (E_RNA)
where:
Base-Base interactions energy: -55.886
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.071
local terms energy: -52.462984
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -92.591218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.591218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.591218 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -29.854
Base-Backbone interact. energy: -0.692
local terms energy: -55.361225
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -140.009154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.009154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.009154 (E_RNA)
where:
Base-Base interactions energy: -84.005
where: short stacking energy: -45.803
Base-Backbone interact. energy: 0.299
local terms energy: -56.303409
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -88.875764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.875764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.875764 (E_RNA)
where:
Base-Base interactions energy: -42.945
where: short stacking energy: -41.246
Base-Backbone interact. energy: -0.303
local terms energy: -45.627332
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -3.583
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: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.062720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.062720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.062720 (E_RNA)
where:
Base-Base interactions energy: -22.606
where: short stacking energy: -17.157
Base-Backbone interact. energy: 0.028
local terms energy: -57.485133
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -257.013091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.013091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.013091 (E_RNA)
where:
Base-Base interactions energy: -176.416
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.237
local terms energy: -80.360061
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -201.593265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.593265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.593265 (E_RNA)
where:
Base-Base interactions energy: -120.670
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.002
local terms energy: -80.920888
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -15.365
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: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -214.457735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.457735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.457735 (E_RNA)
where:
Base-Base interactions energy: -132.834
where: short stacking energy: -70.519
Base-Backbone interact. energy: -0.108
local terms energy: -81.515724
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -180.280114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.280114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.280114 (E_RNA)
where:
Base-Base interactions energy: -113.649
where: short stacking energy: -58.273
Base-Backbone interact. energy: -0.094
local terms energy: -66.536821
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -17.109
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -181.072579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.072579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.072579 (E_RNA)
where:
Base-Base interactions energy: -119.366
where: short stacking energy: -54.845
Base-Backbone interact. energy: 2.252
local terms energy: -63.958907
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -94.308128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.308128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.308128 (E_RNA)
where:
Base-Base interactions energy: -32.796
where: short stacking energy: -27.184
Base-Backbone interact. energy: -0.534
local terms energy: -60.978898
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.251
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: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -98.655638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.655638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.655638 (E_RNA)
where:
Base-Base interactions energy: -40.744
where: short stacking energy: -40.744
Base-Backbone interact. energy: 0.335
local terms energy: -58.246299
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.993
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: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -141.084465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.084465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.084465 (E_RNA)
where:
Base-Base interactions energy: -84.039
where: short stacking energy: -50.579
Base-Backbone interact. energy: 0.155
local terms energy: -57.200199
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -6.998
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: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -88.489457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.489457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.489457 (E_RNA)
where:
Base-Base interactions energy: -39.169
where: short stacking energy: -31.426
Base-Backbone interact. energy: -0.088
local terms energy: -49.231671
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -1.649
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: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -91.392035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.392035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.392035 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -12.297
Base-Backbone interact. energy: -0.743
local terms energy: -48.938188
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.975
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: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -256.978659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.978659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.978659 (E_RNA)
where:
Base-Base interactions energy: -172.655
where: short stacking energy: -65.767
Base-Backbone interact. energy: -0.086
local terms energy: -84.237843
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -216.067486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.067486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.067486 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.023
local terms energy: -79.110295
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.457
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: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -202.611761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.611761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.611761 (E_RNA)
where:
Base-Base interactions energy: -125.990
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.231
local terms energy: -76.391232
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -196.664846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.664846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.664846 (E_RNA)
where:
Base-Base interactions energy: -123.666
where: short stacking energy: -56.430
Base-Backbone interact. energy: -1.110
local terms energy: -71.888907
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -182.063498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.063498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.063498 (E_RNA)
where:
Base-Base interactions energy: -116.759
where: short stacking energy: -48.075
Base-Backbone interact. energy: -0.340
local terms energy: -64.964471
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -105.837279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.837279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.837279 (E_RNA)
where:
Base-Base interactions energy: -51.431
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.926
local terms energy: -53.480335
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -8.546
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: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -163.980154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.980154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.980154 (E_RNA)
where:
Base-Base interactions energy: -91.766
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.068
local terms energy: -72.146434
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -14.635
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: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -100.259590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259590 (E_RNA)
where:
Base-Base interactions energy: -46.985
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.529
local terms energy: -52.746419
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -96.148734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.148734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.148734 (E_RNA)
where:
Base-Base interactions energy: -37.982
where: short stacking energy: -26.140
Base-Backbone interact. energy: -0.491
local terms energy: -57.675664
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -79.237069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.237069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.237069 (E_RNA)
where:
Base-Base interactions energy: -22.098
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.362
local terms energy: -56.776527
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -2.647
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: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -255.131716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.131716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.131716 (E_RNA)
where:
Base-Base interactions energy: -175.521
where: short stacking energy: -70.018
Base-Backbone interact. energy: -0.380
local terms energy: -79.230561
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -16.909
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -204.130821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.130821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.130821 (E_RNA)
where:
Base-Base interactions energy: -120.625
where: short stacking energy: -69.048
Base-Backbone interact. energy: -0.125
local terms energy: -83.381442
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -184.616380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.616380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.616380 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -69.823
Base-Backbone interact. energy: -0.000
local terms energy: -76.779771
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -187.908549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.908549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.908549 (E_RNA)
where:
Base-Base interactions energy: -115.199
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.108
local terms energy: -72.601676
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -185.001073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.001073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.001073 (E_RNA)
where:
Base-Base interactions energy: -111.698
where: short stacking energy: -48.754
Base-Backbone interact. energy: -0.149
local terms energy: -73.153849
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -162.301592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.301592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.301592 (E_RNA)
where:
Base-Base interactions energy: -103.062
where: short stacking energy: -48.676
Base-Backbone interact. energy: -0.283
local terms energy: -58.956874
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -9.963
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: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -91.835283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835283 (E_RNA)
where:
Base-Base interactions energy: -26.554
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.244
local terms energy: -65.036801
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -93.195742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.195742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.195742 (E_RNA)
where:
Base-Base interactions energy: -44.580
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.252
local terms energy: -48.363801
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -88.942164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.942164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.942164 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.251
local terms energy: -58.439859
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -84.525248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.525248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.525248 (E_RNA)
where:
Base-Base interactions energy: -47.616
where: short stacking energy: -39.135
Base-Backbone interact. energy: -0.288
local terms energy: -36.621798
where:
bonds (distance) C4'-P energy: -3.978
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -7.703
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -259.025584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.025584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.025584 (E_RNA)
where:
Base-Base interactions energy: -179.036
where: short stacking energy: -73.875
Base-Backbone interact. energy: -0.034
local terms energy: -79.955261
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -222.345897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.345897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.345897 (E_RNA)
where:
Base-Base interactions energy: -145.331
where: short stacking energy: -61.440
Base-Backbone interact. energy: -0.166
local terms energy: -76.848704
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -19.456
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: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -187.536830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.536830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.536830 (E_RNA)
where:
Base-Base interactions energy: -112.263
where: short stacking energy: -60.124
Base-Backbone interact. energy: -0.060
local terms energy: -75.213931
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -196.223502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.223502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.223502 (E_RNA)
where:
Base-Base interactions energy: -125.586
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.120
local terms energy: -70.517409
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -188.672792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.672792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.672792 (E_RNA)
where:
Base-Base interactions energy: -116.529
where: short stacking energy: -63.355
Base-Backbone interact. energy: -0.467
local terms energy: -71.676304
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -17.314
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: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -160.188073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.188073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.188073 (E_RNA)
where:
Base-Base interactions energy: -101.658
where: short stacking energy: -38.923
Base-Backbone interact. energy: -0.332
local terms energy: -58.198326
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -98.566725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.566725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.566725 (E_RNA)
where:
Base-Base interactions energy: -35.159
where: short stacking energy: -26.929
Base-Backbone interact. energy: 0.590
local terms energy: -63.997889
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -97.533037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.533037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.533037 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -32.698
Base-Backbone interact. energy: -0.058
local terms energy: -60.652111
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -92.345562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.345562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.345562 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -30.567
Base-Backbone interact. energy: -0.094
local terms energy: -60.635168
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -2.107
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: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -76.004655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.004655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.004655 (E_RNA)
where:
Base-Base interactions energy: -22.451
where: short stacking energy: -19.412
Base-Backbone interact. energy: 0.152
local terms energy: -53.705368
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: 2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -254.448765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.448765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.448765 (E_RNA)
where:
Base-Base interactions energy: -173.885
where: short stacking energy: -62.695
Base-Backbone interact. energy: -0.456
local terms energy: -80.107869
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -17.102
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: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -207.499358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.499358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.499358 (E_RNA)
where:
Base-Base interactions energy: -132.317
where: short stacking energy: -62.396
Base-Backbone interact. energy: -0.191
local terms energy: -74.991712
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -193.518652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.518652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.518652 (E_RNA)
where:
Base-Base interactions energy: -120.885
where: short stacking energy: -66.602
Base-Backbone interact. energy: -0.026
local terms energy: -72.607943
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -12.679
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: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -193.990276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.990276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.990276 (E_RNA)
where:
Base-Base interactions energy: -121.980
where: short stacking energy: -55.409
Base-Backbone interact. energy: -1.336
local terms energy: -70.674082
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -9.626
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: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -200.760012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.760012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.760012 (E_RNA)
where:
Base-Base interactions energy: -132.289
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.007
local terms energy: -68.464564
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -97.650495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.650495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.650495 (E_RNA)
where:
Base-Base interactions energy: -42.584
where: short stacking energy: -32.424
Base-Backbone interact. energy: -0.065
local terms energy: -55.001772
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -12.521
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: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -161.522712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.522712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.522712 (E_RNA)
where:
Base-Base interactions energy: -110.892
where: short stacking energy: -41.131
Base-Backbone interact. energy: 0.712
local terms energy: -51.342585
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: 0.762
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -85.611727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.611727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.611727 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -32.591
Base-Backbone interact. energy: -0.658
local terms energy: -49.625524
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -81.237640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.237640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.237640 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.266
local terms energy: -46.845068
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -86.416407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.416407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.416407 (E_RNA)
where:
Base-Base interactions energy: -32.681
where: short stacking energy: -16.322
Base-Backbone interact. energy: 0.950
local terms energy: -54.684999
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -1.201
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -257.839175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.839175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.839175 (E_RNA)
where:
Base-Base interactions energy: -178.465
where: short stacking energy: -71.293
Base-Backbone interact. energy: 1.931
local terms energy: -81.304302
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -211.593845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.593845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.593845 (E_RNA)
where:
Base-Base interactions energy: -128.353
where: short stacking energy: -67.408
Base-Backbone interact. energy: -1.364
local terms energy: -81.877170
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -9.271
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: 3, replica: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -191.655616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.655616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.655616 (E_RNA)
where:
Base-Base interactions energy: -119.774
where: short stacking energy: -71.110
Base-Backbone interact. energy: -0.128
local terms energy: -71.754061
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -4.674
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: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -189.153863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.153863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.153863 (E_RNA)
where:
Base-Base interactions energy: -114.841
where: short stacking energy: -65.141
Base-Backbone interact. energy: -0.002
local terms energy: -74.311162
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -6.105
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: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -191.133752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.133752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.133752 (E_RNA)
where:
Base-Base interactions energy: -126.842
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.242
local terms energy: -64.049832
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -97.696966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.696966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.696966 (E_RNA)
where:
Base-Base interactions energy: -36.534
where: short stacking energy: -30.608
Base-Backbone interact. energy: -0.257
local terms energy: -60.906539
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.501
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: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -159.751274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.751274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.751274 (E_RNA)
where:
Base-Base interactions energy: -106.816
where: short stacking energy: -40.868
Base-Backbone interact. energy: -1.036
local terms energy: -51.899530
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -93.244394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.244394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.244394 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -30.868
Base-Backbone interact. energy: 0.228
local terms energy: -53.592115
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -79.180132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.180132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.180132 (E_RNA)
where:
Base-Base interactions energy: -36.666
where: short stacking energy: -32.323
Base-Backbone interact. energy: -0.010
local terms energy: -42.504640
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -0.832
tors. eta vs tors. theta energy: -3.725
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: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -88.111281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.111281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.111281 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -28.090
Base-Backbone interact. energy: -0.163
local terms energy: -55.730888
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -248.584222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.584222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.584222 (E_RNA)
where:
Base-Base interactions energy: -169.390
where: short stacking energy: -73.529
Base-Backbone interact. energy: -0.732
local terms energy: -78.462068
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -209.674470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.674470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.674470 (E_RNA)
where:
Base-Base interactions energy: -128.135
where: short stacking energy: -71.639
Base-Backbone interact. energy: -0.000
local terms energy: -81.539178
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -205.650076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.650076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.650076 (E_RNA)
where:
Base-Base interactions energy: -130.779
where: short stacking energy: -65.906
Base-Backbone interact. energy: 0.851
local terms energy: -75.721844
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -14.975
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: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -195.254174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.254174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.254174 (E_RNA)
where:
Base-Base interactions energy: -113.045
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.067
local terms energy: -82.142235
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -191.805357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.805357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.805357 (E_RNA)
where:
Base-Base interactions energy: -126.241
where: short stacking energy: -61.722
Base-Backbone interact. energy: -0.605
local terms energy: -64.959305
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -173.185957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.185957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.185957 (E_RNA)
where:
Base-Base interactions energy: -104.078
where: short stacking energy: -47.685
Base-Backbone interact. energy: -0.730
local terms energy: -68.378797
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -8.097
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: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -100.186726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.186726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.186726 (E_RNA)
where:
Base-Base interactions energy: -43.123
where: short stacking energy: -24.481
Base-Backbone interact. energy: -0.020
local terms energy: -57.043452
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -101.748048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.748048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.748048 (E_RNA)
where:
Base-Base interactions energy: -33.835
where: short stacking energy: -32.395
Base-Backbone interact. energy: -0.122
local terms energy: -67.790445
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -81.161254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161254 (E_RNA)
where:
Base-Base interactions energy: -23.525
where: short stacking energy: -18.265
Base-Backbone interact. energy: 0.832
local terms energy: -58.468005
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -79.435864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.435864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.435864 (E_RNA)
where:
Base-Base interactions energy: -27.301
where: short stacking energy: -25.419
Base-Backbone interact. energy: 1.326
local terms energy: -53.460556
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 0.056
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: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -253.114472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.114472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.114472 (E_RNA)
where:
Base-Base interactions energy: -177.741
where: short stacking energy: -74.902
Base-Backbone interact. energy: -0.138
local terms energy: -75.235214
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -208.042471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.042471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.042471 (E_RNA)
where:
Base-Base interactions energy: -123.526
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.001
local terms energy: -84.514827
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -196.887068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.887068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.887068 (E_RNA)
where:
Base-Base interactions energy: -117.141
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.048
local terms energy: -79.698811
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.656
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: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -195.663837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.663837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.663837 (E_RNA)
where:
Base-Base interactions energy: -123.495
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.197
local terms energy: -71.971408
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -178.105985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.105985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.105985 (E_RNA)
where:
Base-Base interactions energy: -103.593
where: short stacking energy: -50.352
Base-Backbone interact. energy: -0.012
local terms energy: -74.501434
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -13.998
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: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -175.994612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.994612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.994612 (E_RNA)
where:
Base-Base interactions energy: -108.055
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.070
local terms energy: -67.869875
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.712
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: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -99.838161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.838161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.838161 (E_RNA)
where:
Base-Base interactions energy: -48.556
where: short stacking energy: -35.175
Base-Backbone interact. energy: -0.200
local terms energy: -51.081986
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.904
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -89.596426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.596426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.596426 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.399
local terms energy: -52.051377
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -101.381804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.381804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.381804 (E_RNA)
where:
Base-Base interactions energy: -36.772
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.088
local terms energy: -64.522040
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -86.151075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.151075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.151075 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.150
local terms energy: -54.846800
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -10.437
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: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -248.976459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.976459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.976459 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.247
local terms energy: -80.136887
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -199.528568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.528568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.528568 (E_RNA)
where:
Base-Base interactions energy: -129.335
where: short stacking energy: -61.567
Base-Backbone interact. energy: -0.093
local terms energy: -70.100578
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -203.980769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.980769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.980769 (E_RNA)
where:
Base-Base interactions energy: -124.277
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.602
local terms energy: -79.102336
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -192.391808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.391808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.391808 (E_RNA)
where:
Base-Base interactions energy: -120.602
where: short stacking energy: -51.676
Base-Backbone interact. energy: -1.626
local terms energy: -70.163781
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -13.691
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: 105
Temperature: 1.100000
Total energy: -189.724436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.724436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.724436 (E_RNA)
where:
Base-Base interactions energy: -120.430
where: short stacking energy: -52.147
Base-Backbone interact. energy: -0.003
local terms energy: -69.291338
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -99.871064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.871064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.871064 (E_RNA)
where:
Base-Base interactions energy: -41.709
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.161
local terms energy: -58.000878
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -149.102249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.102249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.102249 (E_RNA)
where:
Base-Base interactions energy: -93.264
where: short stacking energy: -48.915
Base-Backbone interact. energy: -0.099
local terms energy: -55.739083
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -7.144
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: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -87.663286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.663286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.663286 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -26.902
Base-Backbone interact. energy: -0.151
local terms energy: -54.917686
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -85.563837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.563837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.563837 (E_RNA)
where:
Base-Base interactions energy: -30.388
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.036
local terms energy: -55.139876
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -84.828728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.828728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.828728 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.020
local terms energy: -47.867487
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -247.858568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.858568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.858568 (E_RNA)
where:
Base-Base interactions energy: -163.241
where: short stacking energy: -77.416
Base-Backbone interact. energy: -1.705
local terms energy: -82.912998
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -200.559215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.559215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.559215 (E_RNA)
where:
Base-Base interactions energy: -128.765
where: short stacking energy: -60.236
Base-Backbone interact. energy: -0.298
local terms energy: -71.496162
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -199.270288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.270288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.270288 (E_RNA)
where:
Base-Base interactions energy: -121.522
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.037
local terms energy: -77.711420
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -191.198338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.198338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.198338 (E_RNA)
where:
Base-Base interactions energy: -123.938
where: short stacking energy: -66.648
Base-Backbone interact. energy: 0.197
local terms energy: -67.456938
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -191.165249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.165249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.165249 (E_RNA)
where:
Base-Base interactions energy: -114.959
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.119
local terms energy: -76.088066
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -101.808416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.808416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.808416 (E_RNA)
where:
Base-Base interactions energy: -44.225
where: short stacking energy: -40.417
Base-Backbone interact. energy: -0.193
local terms energy: -57.390346
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.627
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: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -168.049421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.049421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.049421 (E_RNA)
where:
Base-Base interactions energy: -111.085
where: short stacking energy: -59.307
Base-Backbone interact. energy: 0.519
local terms energy: -57.483196
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -8.589
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -103.532351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.532351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.532351 (E_RNA)
where:
Base-Base interactions energy: -38.331
where: short stacking energy: -34.572
Base-Backbone interact. energy: -0.098
local terms energy: -65.104044
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -85.787696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787696 (E_RNA)
where:
Base-Base interactions energy: -37.432
where: short stacking energy: -33.216
Base-Backbone interact. energy: 1.900
local terms energy: -50.255576
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -86.392471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.392471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.392471 (E_RNA)
where:
Base-Base interactions energy: -29.498
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.185
local terms energy: -56.709571
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -9.482
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: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -251.710923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.710923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.710923 (E_RNA)
where:
Base-Base interactions energy: -172.145
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.530
local terms energy: -79.035741
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -209.227841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.227841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.227841 (E_RNA)
where:
Base-Base interactions energy: -133.976
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.178
local terms energy: -75.073779
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -212.022231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.022231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.022231 (E_RNA)
where:
Base-Base interactions energy: -133.563
where: short stacking energy: -66.827
Base-Backbone interact. energy: -0.368
local terms energy: -78.091451
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -202.474086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.474086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.474086 (E_RNA)
where:
Base-Base interactions energy: -131.283
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.003
local terms energy: -71.187996
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -6.431
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: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -187.108136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.108136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.108136 (E_RNA)
where:
Base-Base interactions energy: -119.919
where: short stacking energy: -56.148
Base-Backbone interact. energy: -0.045
local terms energy: -67.144218
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -166.661149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.661149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.661149 (E_RNA)
where:
Base-Base interactions energy: -107.571
where: short stacking energy: -43.204
Base-Backbone interact. energy: -0.472
local terms energy: -58.618603
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -98.771932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.771932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.771932 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -34.787
Base-Backbone interact. energy: -0.317
local terms energy: -57.245778
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -109.471327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.471327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.471327 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -40.801
Base-Backbone interact. energy: -0.281
local terms energy: -63.644097
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -91.187794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.187794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.187794 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -35.217
Base-Backbone interact. energy: -0.041
local terms energy: -48.975681
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -88.231733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231733 (E_RNA)
where:
Base-Base interactions energy: -42.465
where: short stacking energy: -23.692
Base-Backbone interact. energy: -0.010
local terms energy: -45.756600
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -2.526
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -249.045980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.045980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.045980 (E_RNA)
where:
Base-Base interactions energy: -170.980
where: short stacking energy: -70.298
Base-Backbone interact. energy: -1.065
local terms energy: -77.001249
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.652
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: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -205.710637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.710637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.710637 (E_RNA)
where:
Base-Base interactions energy: -137.634
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.395
local terms energy: -67.681217
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.135
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: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -205.375556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.375556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.375556 (E_RNA)
where:
Base-Base interactions energy: -127.367
where: short stacking energy: -70.518
Base-Backbone interact. energy: -0.016
local terms energy: -77.992370
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -192.629690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.629690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.629690 (E_RNA)
where:
Base-Base interactions energy: -127.196
where: short stacking energy: -58.554
Base-Backbone interact. energy: -0.317
local terms energy: -65.117393
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -180.864307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.864307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.864307 (E_RNA)
where:
Base-Base interactions energy: -111.823
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.050
local terms energy: -68.990874
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -182.244006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.244006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.244006 (E_RNA)
where:
Base-Base interactions energy: -115.859
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.221
local terms energy: -66.164296
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -131.268809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.268809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.268809 (E_RNA)
where:
Base-Base interactions energy: -82.703
where: short stacking energy: -34.375
Base-Backbone interact. energy: -0.117
local terms energy: -48.448484
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -7.055
flat angles P-C4'-P energy: -10.705
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: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -94.086524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.086524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.086524 (E_RNA)
where:
Base-Base interactions energy: -38.090
where: short stacking energy: -37.595
Base-Backbone interact. energy: -0.326
local terms energy: -55.670555
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -100.173208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.173208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.173208 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.748
local terms energy: -63.147101
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.861
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: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -90.023045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.023045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.023045 (E_RNA)
where:
Base-Base interactions energy: -28.860
where: short stacking energy: -28.860
Base-Backbone interact. energy: -0.511
local terms energy: -60.651079
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -246.727379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.727379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.727379 (E_RNA)
where:
Base-Base interactions energy: -161.533
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.826
local terms energy: -84.367873
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -15.074
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: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -216.892841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.892841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.892841 (E_RNA)
where:
Base-Base interactions energy: -137.938
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.003
local terms energy: -78.952372
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -9.755
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: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -207.061793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.061793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.061793 (E_RNA)
where:
Base-Base interactions energy: -131.469
where: short stacking energy: -63.491
Base-Backbone interact. energy: -0.002
local terms energy: -75.591226
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -194.692898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.692898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.692898 (E_RNA)
where:
Base-Base interactions energy: -118.478
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.324
local terms energy: -75.890704
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -189.864373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.864373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.864373 (E_RNA)
where:
Base-Base interactions energy: -126.417
where: short stacking energy: -54.254
Base-Backbone interact. energy: -0.054
local terms energy: -63.393295
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -10.222
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: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -189.219096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.219096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.219096 (E_RNA)
where:
Base-Base interactions energy: -125.438
where: short stacking energy: -54.474
Base-Backbone interact. energy: -0.004
local terms energy: -63.776744
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -107.100889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.100889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.100889 (E_RNA)
where:
Base-Base interactions energy: -57.786
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.468
local terms energy: -48.846884
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -124.990390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.990390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.990390 (E_RNA)
where:
Base-Base interactions energy: -64.033
where: short stacking energy: -40.002
Base-Backbone interact. energy: 0.114
local terms energy: -61.071626
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.352298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.352298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.352298 (E_RNA)
where:
Base-Base interactions energy: -35.793
where: short stacking energy: -35.793
Base-Backbone interact. energy: -0.358
local terms energy: -49.201615
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -81.620539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.620539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.620539 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -28.981
Base-Backbone interact. energy: 0.148
local terms energy: -52.787491
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -238.608545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.608545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.608545 (E_RNA)
where:
Base-Base interactions energy: -160.597
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.241
local terms energy: -77.770723
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -224.909919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.909919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.909919 (E_RNA)
where:
Base-Base interactions energy: -146.443
where: short stacking energy: -72.239
Base-Backbone interact. energy: -0.028
local terms energy: -78.438572
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -187.494119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.494119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.494119 (E_RNA)
where:
Base-Base interactions energy: -104.607
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.934
local terms energy: -81.953629
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -186.405497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.405497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.405497 (E_RNA)
where:
Base-Base interactions energy: -121.997
where: short stacking energy: -52.177
Base-Backbone interact. energy: -0.082
local terms energy: -64.325957
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -190.814350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.814350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.814350 (E_RNA)
where:
Base-Base interactions energy: -110.276
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.072
local terms energy: -80.465850
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.652
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: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -173.506852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.506852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.506852 (E_RNA)
where:
Base-Base interactions energy: -110.594
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.154
local terms energy: -62.759063
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -16.161
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: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -108.410812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.410812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.410812 (E_RNA)
where:
Base-Base interactions energy: -46.891
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.072
local terms energy: -61.448037
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -97.636400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.636400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.636400 (E_RNA)
where:
Base-Base interactions energy: -44.202
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.088
local terms energy: -53.346639
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -90.939437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.939437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.939437 (E_RNA)
where:
Base-Base interactions energy: -44.575
where: short stacking energy: -40.627
Base-Backbone interact. energy: -0.097
local terms energy: -46.267764
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: 0.661
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -85.647635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.647635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.647635 (E_RNA)
where:
Base-Base interactions energy: -29.154
where: short stacking energy: -29.154
Base-Backbone interact. energy: -0.001
local terms energy: -56.492927
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -2.429
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: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -234.308677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.308677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.308677 (E_RNA)
where:
Base-Base interactions energy: -158.102
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.250
local terms energy: -75.956370
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.116
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: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -227.658291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.658291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.658291 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.071
local terms energy: -83.995974
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -17.774
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: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -193.440227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.440227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.440227 (E_RNA)
where:
Base-Base interactions energy: -109.482
where: short stacking energy: -55.379
Base-Backbone interact. energy: -0.066
local terms energy: -83.892397
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -185.423029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.423029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.423029 (E_RNA)
where:
Base-Base interactions energy: -117.728
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.130
local terms energy: -67.564294
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -185.302349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.302349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.302349 (E_RNA)
where:
Base-Base interactions energy: -107.355
where: short stacking energy: -55.907
Base-Backbone interact. energy: 0.098
local terms energy: -78.045328
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -163.465048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.465048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.465048 (E_RNA)
where:
Base-Base interactions energy: -98.566
where: short stacking energy: -55.651
Base-Backbone interact. energy: -0.050
local terms energy: -64.848799
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -12.145
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: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -104.215436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.215436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.215436 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -41.670
Base-Backbone interact. energy: -0.023
local terms energy: -61.689849
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -92.715106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715106 (E_RNA)
where:
Base-Base interactions energy: -47.620
where: short stacking energy: -32.774
Base-Backbone interact. energy: 1.512
local terms energy: -46.606882
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -90.371589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.371589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.371589 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.215
local terms energy: -51.659805
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -82.785804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.785804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.785804 (E_RNA)
where:
Base-Base interactions energy: -35.441
where: short stacking energy: -26.364
Base-Backbone interact. energy: -0.200
local terms energy: -47.144742
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -2.050
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: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -235.215757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.215757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.215757 (E_RNA)
where:
Base-Base interactions energy: -157.918
where: short stacking energy: -72.125
Base-Backbone interact. energy: -0.187
local terms energy: -77.110010
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -235.885140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.885140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.885140 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.191
local terms energy: -75.174735
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -204.850686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.850686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.850686 (E_RNA)
where:
Base-Base interactions energy: -126.089
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.089
local terms energy: -78.672962
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -22.985
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: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -193.103786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.103786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.103786 (E_RNA)
where:
Base-Base interactions energy: -124.533
where: short stacking energy: -72.472
Base-Backbone interact. energy: -0.039
local terms energy: -68.531363
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -187.294513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.294513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.294513 (E_RNA)
where:
Base-Base interactions energy: -109.285
where: short stacking energy: -50.805
Base-Backbone interact. energy: -1.457
local terms energy: -76.552693
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -12.471
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: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -157.502684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.502684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.502684 (E_RNA)
where:
Base-Base interactions energy: -89.707
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.188
local terms energy: -67.607721
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -96.706304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.706304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.706304 (E_RNA)
where:
Base-Base interactions energy: -50.629
where: short stacking energy: -31.896
Base-Backbone interact. energy: -0.124
local terms energy: -45.952829
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -91.824253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.824253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.824253 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -39.515
Base-Backbone interact. energy: 0.122
local terms energy: -52.531143
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -11.638
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: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -84.493511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.493511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.493511 (E_RNA)
where:
Base-Base interactions energy: -27.895
where: short stacking energy: -27.895
Base-Backbone interact. energy: 0.173
local terms energy: -56.771382
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -85.866894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.866894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.866894 (E_RNA)
where:
Base-Base interactions energy: -31.167
where: short stacking energy: -22.669
Base-Backbone interact. energy: -0.306
local terms energy: -54.393149
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -233.218920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.218920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.218920 (E_RNA)
where:
Base-Base interactions energy: -150.493
where: short stacking energy: -72.310
Base-Backbone interact. energy: 0.087
local terms energy: -82.812981
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -21.990
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: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -250.283987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.283987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.283987 (E_RNA)
where:
Base-Base interactions energy: -177.938
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.317
local terms energy: -72.028544
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -185.401330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.401330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.401330 (E_RNA)
where:
Base-Base interactions energy: -111.643
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.388
local terms energy: -73.370693
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -10.597
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: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -202.603793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.603793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.603793 (E_RNA)
where:
Base-Base interactions energy: -133.330
where: short stacking energy: -58.014
Base-Backbone interact. energy: -0.531
local terms energy: -68.742968
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -8.920
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: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -181.771200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.771200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.771200 (E_RNA)
where:
Base-Base interactions energy: -116.840
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.128
local terms energy: -64.803486
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -12.327
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -159.117010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.117010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.117010 (E_RNA)
where:
Base-Base interactions energy: -100.944
where: short stacking energy: -51.809
Base-Backbone interact. energy: -0.573
local terms energy: -57.599902
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -98.628379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.628379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.628379 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -34.172
Base-Backbone interact. energy: -0.728
local terms energy: -63.728156
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -85.565737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.565737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.565737 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.019
local terms energy: -50.164927
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -4.983
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: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -90.362603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.362603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.362603 (E_RNA)
where:
Base-Base interactions energy: -29.268
where: short stacking energy: -29.209
Base-Backbone interact. energy: -0.103
local terms energy: -60.991406
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -80.255238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255238 (E_RNA)
where:
Base-Base interactions energy: -31.005
where: short stacking energy: -31.005
Base-Backbone interact. energy: 0.049
local terms energy: -49.298927
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: 0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -258.840041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.840041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.840041 (E_RNA)
where:
Base-Base interactions energy: -179.145
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.254
local terms energy: -79.440232
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -13.920
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: 114
Temperature: 0.950000
Total energy: -228.040411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.040411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.040411 (E_RNA)
where:
Base-Base interactions energy: -154.166
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.072
local terms energy: -73.801826
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -218.215669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.215669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.215669 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -68.451
Base-Backbone interact. energy: -0.012
local terms energy: -71.893098
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -179.885277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.885277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.885277 (E_RNA)
where:
Base-Base interactions energy: -113.929
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.025
local terms energy: -65.931309
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -184.368292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.368292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.368292 (E_RNA)
where:
Base-Base interactions energy: -119.324
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.031
local terms energy: -65.013129
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -195.882649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.882649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.882649 (E_RNA)
where:
Base-Base interactions energy: -125.001
where: short stacking energy: -55.010
Base-Backbone interact. energy: -0.148
local terms energy: -70.733131
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -101.691078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.691078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.691078 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -39.009
Base-Backbone interact. energy: -0.218
local terms energy: -62.464124
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -103.472488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.472488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.472488 (E_RNA)
where:
Base-Base interactions energy: -58.310
where: short stacking energy: -32.177
Base-Backbone interact. energy: -0.541
local terms energy: -44.621664
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -106.618558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.618558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.618558 (E_RNA)
where:
Base-Base interactions energy: -52.201
where: short stacking energy: -42.259
Base-Backbone interact. energy: -0.656
local terms energy: -53.760981
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -83.014478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014478 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -22.135
Base-Backbone interact. energy: 2.708
local terms energy: -53.600539
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -254.886400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.886400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.886400 (E_RNA)
where:
Base-Base interactions energy: -179.843
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.322
local terms energy: -74.721411
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -211.980609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.980609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.980609 (E_RNA)
where:
Base-Base interactions energy: -134.102
where: short stacking energy: -57.466
Base-Backbone interact. energy: -0.556
local terms energy: -77.322606
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -13.442
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: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -216.510237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510237 (E_RNA)
where:
Base-Base interactions energy: -141.362
where: short stacking energy: -65.575
Base-Backbone interact. energy: -0.111
local terms energy: -75.037004
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -200.129404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.129404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.129404 (E_RNA)
where:
Base-Base interactions energy: -118.053
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.063
local terms energy: -82.013349
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -199.413183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.413183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.413183 (E_RNA)
where:
Base-Base interactions energy: -130.668
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.575
local terms energy: -68.170166
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -178.811426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.811426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.811426 (E_RNA)
where:
Base-Base interactions energy: -113.263
where: short stacking energy: -51.040
Base-Backbone interact. energy: -0.843
local terms energy: -64.704906
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -104.910427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.910427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.910427 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -35.831
Base-Backbone interact. energy: -0.090
local terms energy: -64.057781
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -88.011339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.011339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.011339 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.695
local terms energy: -51.997032
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -81.677579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.677579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.677579 (E_RNA)
where:
Base-Base interactions energy: -22.855
where: short stacking energy: -21.826
Base-Backbone interact. energy: -0.471
local terms energy: -58.351419
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -12.008
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: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -99.279499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.279499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.279499 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -36.948
Base-Backbone interact. energy: -0.038
local terms energy: -60.548329
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -12.032
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: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -252.593264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.593264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.593264 (E_RNA)
where:
Base-Base interactions energy: -174.944
where: short stacking energy: -74.159
Base-Backbone interact. energy: 0.570
local terms energy: -78.219206
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -208.094725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.094725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.094725 (E_RNA)
where:
Base-Base interactions energy: -131.173
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.136
local terms energy: -76.785263
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -199.770224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.770224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.770224 (E_RNA)
where:
Base-Base interactions energy: -124.811
where: short stacking energy: -60.898
Base-Backbone interact. energy: -0.739
local terms energy: -74.220210
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -190.361724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.361724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.361724 (E_RNA)
where:
Base-Base interactions energy: -113.360
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.034
local terms energy: -76.967498
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -192.781400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.781400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.781400 (E_RNA)
where:
Base-Base interactions energy: -114.701
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.004
local terms energy: -78.076727
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -197.684352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.684352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.684352 (E_RNA)
where:
Base-Base interactions energy: -123.844
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.121
local terms energy: -73.718982
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.629
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: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -96.099224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.099224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.099224 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.578
local terms energy: -56.733140
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -7.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -101.674055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.674055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.674055 (E_RNA)
where:
Base-Base interactions energy: -38.488
where: short stacking energy: -38.488
Base-Backbone interact. energy: -0.144
local terms energy: -63.041847
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -103.646233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.646233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.646233 (E_RNA)
where:
Base-Base interactions energy: -56.424
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.257
local terms energy: -46.964970
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: 2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -82.003634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003634 (E_RNA)
where:
Base-Base interactions energy: -30.253
where: short stacking energy: -29.157
Base-Backbone interact. energy: -0.292
local terms energy: -51.457734
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -251.155514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.155514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.155514 (E_RNA)
where:
Base-Base interactions energy: -177.488
where: short stacking energy: -74.235
Base-Backbone interact. energy: -0.158
local terms energy: -73.509922
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -207.202543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.202543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.202543 (E_RNA)
where:
Base-Base interactions energy: -138.923
where: short stacking energy: -57.559
Base-Backbone interact. energy: -0.038
local terms energy: -68.241115
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -9.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -191.424865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.424865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.424865 (E_RNA)
where:
Base-Base interactions energy: -123.570
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.658
local terms energy: -67.196413
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -198.425887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.425887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.425887 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -68.168
Base-Backbone interact. energy: -0.010
local terms energy: -78.755450
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -192.716857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.716857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.716857 (E_RNA)
where:
Base-Base interactions energy: -119.580
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.097
local terms energy: -73.039929
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -182.024193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.024193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.024193 (E_RNA)
where:
Base-Base interactions energy: -108.294
where: short stacking energy: -54.501
Base-Backbone interact. energy: -0.777
local terms energy: -72.953290
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.745
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: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -106.469372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.469372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.469372 (E_RNA)
where:
Base-Base interactions energy: -48.828
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.351
local terms energy: -57.289733
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -95.303070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303070 (E_RNA)
where:
Base-Base interactions energy: -47.394
where: short stacking energy: -17.053
Base-Backbone interact. energy: -0.242
local terms energy: -47.666504
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: 7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -101.222180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.222180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.222180 (E_RNA)
where:
Base-Base interactions energy: -41.249
where: short stacking energy: -41.249
Base-Backbone interact. energy: -0.111
local terms energy: -59.861871
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.879
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: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -93.513439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.513439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.513439 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -37.269
Base-Backbone interact. energy: -0.114
local terms energy: -55.672108
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -7.444
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: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -262.599049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.599049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.599049 (E_RNA)
where:
Base-Base interactions energy: -191.217
where: short stacking energy: -75.461
Base-Backbone interact. energy: 1.606
local terms energy: -72.988379
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -216.489793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.489793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.489793 (E_RNA)
where:
Base-Base interactions energy: -145.410
where: short stacking energy: -59.884
Base-Backbone interact. energy: 0.074
local terms energy: -71.153853
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -17.096
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: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -201.750527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.750527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.750527 (E_RNA)
where:
Base-Base interactions energy: -130.458
where: short stacking energy: -66.168
Base-Backbone interact. energy: -0.337
local terms energy: -70.955009
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -193.196425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.196425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.196425 (E_RNA)
where:
Base-Base interactions energy: -122.024
where: short stacking energy: -57.970
Base-Backbone interact. energy: -0.613
local terms energy: -70.559797
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.261
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: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -176.445879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.445879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.445879 (E_RNA)
where:
Base-Base interactions energy: -101.301
where: short stacking energy: -52.450
Base-Backbone interact. energy: 0.026
local terms energy: -75.170733
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -186.856957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.856957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.856957 (E_RNA)
where:
Base-Base interactions energy: -109.703
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.029
local terms energy: -77.124797
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -106.695071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.695071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.695071 (E_RNA)
where:
Base-Base interactions energy: -48.926
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.205
local terms energy: -57.563848
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -98.936467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.936467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.936467 (E_RNA)
where:
Base-Base interactions energy: -45.279
where: short stacking energy: -30.177
Base-Backbone interact. energy: 0.867
local terms energy: -54.523733
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -4.014
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: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -93.772202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.772202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.772202 (E_RNA)
where:
Base-Base interactions energy: -33.688
where: short stacking energy: -33.412
Base-Backbone interact. energy: 1.276
local terms energy: -61.360524
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -12.402
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: 118
Temperature: 1.350000
Total energy: -79.824359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.824359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.824359 (E_RNA)
where:
Base-Base interactions energy: -31.070
where: short stacking energy: -31.070
Base-Backbone interact. energy: -0.099
local terms energy: -48.655248
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -258.085920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.085920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.085920 (E_RNA)
where:
Base-Base interactions energy: -184.136
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.630
local terms energy: -73.319896
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -11.390
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: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -210.097752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.097752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.097752 (E_RNA)
where:
Base-Base interactions energy: -135.365
where: short stacking energy: -70.177
Base-Backbone interact. energy: 0.055
local terms energy: -74.788280
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -208.225707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.225707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.225707 (E_RNA)
where:
Base-Base interactions energy: -132.285
where: short stacking energy: -61.376
Base-Backbone interact. energy: 1.702
local terms energy: -77.643328
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -192.379298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.379298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.379298 (E_RNA)
where:
Base-Base interactions energy: -123.848
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.007
local terms energy: -68.524061
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -13.404
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: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -189.966251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.966251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.966251 (E_RNA)
where:
Base-Base interactions energy: -122.577
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.036
local terms energy: -67.353076
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -17.897
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: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -185.607467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.607467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.607467 (E_RNA)
where:
Base-Base interactions energy: -121.512
where: short stacking energy: -52.873
Base-Backbone interact. energy: 2.111
local terms energy: -66.206794
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -92.785135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785135 (E_RNA)
where:
Base-Base interactions energy: -42.824
where: short stacking energy: -40.243
Base-Backbone interact. energy: -0.319
local terms energy: -49.643032
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -3.315
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: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -101.598644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.598644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.598644 (E_RNA)
where:
Base-Base interactions energy: -44.714
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.072
local terms energy: -56.813156
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -98.231818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.231818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.231818 (E_RNA)
where:
Base-Base interactions energy: -33.393
where: short stacking energy: -31.434
Base-Backbone interact. energy: -0.116
local terms energy: -64.723119
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -83.598447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.598447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.598447 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -21.888
Base-Backbone interact. energy: -0.241
local terms energy: -54.296838
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -267.268314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.268314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.268314 (E_RNA)
where:
Base-Base interactions energy: -188.985
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.319
local terms energy: -77.964625
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -211.061021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.061021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.061021 (E_RNA)
where:
Base-Base interactions energy: -147.032
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.233
local terms energy: -63.795233
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -203.522879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.522879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.522879 (E_RNA)
where:
Base-Base interactions energy: -127.331
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.073
local terms energy: -76.119360
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -176.031232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.031232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.031232 (E_RNA)
where:
Base-Base interactions energy: -107.309
where: short stacking energy: -49.581
Base-Backbone interact. energy: 0.611
local terms energy: -69.333527
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -192.599496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.599496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.599496 (E_RNA)
where:
Base-Base interactions energy: -131.482
where: short stacking energy: -60.555
Base-Backbone interact. energy: -0.002
local terms energy: -61.114992
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -186.488397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.488397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.488397 (E_RNA)
where:
Base-Base interactions energy: -114.890
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.396
local terms energy: -71.202175
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -105.873159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873159 (E_RNA)
where:
Base-Base interactions energy: -50.647
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.761
local terms energy: -54.464948
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -102.860404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.860404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.860404 (E_RNA)
where:
Base-Base interactions energy: -46.025
where: short stacking energy: -40.684
Base-Backbone interact. energy: 0.365
local terms energy: -57.200755
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -93.784900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784900 (E_RNA)
where:
Base-Base interactions energy: -36.976
where: short stacking energy: -36.976
Base-Backbone interact. energy: -0.014
local terms energy: -56.795074
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -85.208651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.208651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.208651 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -14.577
Base-Backbone interact. energy: -0.505
local terms energy: -46.386631
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: 3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -269.513079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.513079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.513079 (E_RNA)
where:
Base-Base interactions energy: -200.612
where: short stacking energy: -61.265
Base-Backbone interact. energy: -2.442
local terms energy: -66.459059
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -191.775533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.775533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.775533 (E_RNA)
where:
Base-Base interactions energy: -119.487
where: short stacking energy: -62.989
Base-Backbone interact. energy: 0.435
local terms energy: -72.723480
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -237.671243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.671243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.671243 (E_RNA)
where:
Base-Base interactions energy: -164.645
where: short stacking energy: -62.690
Base-Backbone interact. energy: 0.047
local terms energy: -73.072897
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -196.761715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.761715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.761715 (E_RNA)
where:
Base-Base interactions energy: -129.451
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.118
local terms energy: -67.192697
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -11.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -176.232444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.232444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.232444 (E_RNA)
where:
Base-Base interactions energy: -115.323
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.063
local terms energy: -60.846362
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -10.236
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: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -179.621907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.621907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.621907 (E_RNA)
where:
Base-Base interactions energy: -116.593
where: short stacking energy: -47.490
Base-Backbone interact. energy: -0.248
local terms energy: -62.780029
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -102.708037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.708037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.708037 (E_RNA)
where:
Base-Base interactions energy: -37.729
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.118
local terms energy: -64.860682
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -104.399048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.399048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.399048 (E_RNA)
where:
Base-Base interactions energy: -55.023
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.932
local terms energy: -48.443577
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -88.856674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.856674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.856674 (E_RNA)
where:
Base-Base interactions energy: -37.623
where: short stacking energy: -35.195
Base-Backbone interact. energy: -0.021
local terms energy: -51.212302
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -5.377
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: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -81.451488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.451488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.451488 (E_RNA)
where:
Base-Base interactions energy: -24.093
where: short stacking energy: -22.782
Base-Backbone interact. energy: 0.094
local terms energy: -57.452426
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -259.970404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.970404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.970404 (E_RNA)
where:
Base-Base interactions energy: -182.270
where: short stacking energy: -76.010
Base-Backbone interact. energy: 0.175
local terms energy: -77.875268
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -200.650600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.650600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.650600 (E_RNA)
where:
Base-Base interactions energy: -119.910
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.003
local terms energy: -80.737161
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -217.577715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.577715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.577715 (E_RNA)
where:
Base-Base interactions energy: -139.948
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.318
local terms energy: -77.311965
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -205.809007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.809007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.809007 (E_RNA)
where:
Base-Base interactions energy: -133.606
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.439
local terms energy: -71.764263
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -17.873
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: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -183.816501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.816501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.816501 (E_RNA)
where:
Base-Base interactions energy: -113.671
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.098
local terms energy: -70.048193
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -182.302771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.302771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.302771 (E_RNA)
where:
Base-Base interactions energy: -103.358
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.116
local terms energy: -78.829221
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -104.458421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.458421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.458421 (E_RNA)
where:
Base-Base interactions energy: -45.481
where: short stacking energy: -28.900
Base-Backbone interact. energy: 0.810
local terms energy: -59.786549
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -96.526769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.526769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.526769 (E_RNA)
where:
Base-Base interactions energy: -36.094
where: short stacking energy: -35.215
Base-Backbone interact. energy: 0.063
local terms energy: -60.496250
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -8.693
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: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -79.443263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.443263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.443263 (E_RNA)
where:
Base-Base interactions energy: -23.196
where: short stacking energy: -19.483
Base-Backbone interact. energy: -0.021
local terms energy: -56.226184
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -84.331364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.331364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.331364 (E_RNA)
where:
Base-Base interactions energy: -30.227
where: short stacking energy: -28.412
Base-Backbone interact. energy: -0.075
local terms energy: -54.029324
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -264.637476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.637476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.637476 (E_RNA)
where:
Base-Base interactions energy: -184.332
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.094
local terms energy: -80.211607
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -225.575305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.575305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.575305 (E_RNA)
where:
Base-Base interactions energy: -157.343
where: short stacking energy: -67.409
Base-Backbone interact. energy: -0.492
local terms energy: -67.740645
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -18.361
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: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -194.747094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.747094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.747094 (E_RNA)
where:
Base-Base interactions energy: -126.112
where: short stacking energy: -55.913
Base-Backbone interact. energy: 0.439
local terms energy: -69.073935
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -199.620151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.620151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.620151 (E_RNA)
where:
Base-Base interactions energy: -124.441
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.010
local terms energy: -75.169102
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -195.538333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.538333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.538333 (E_RNA)
where:
Base-Base interactions energy: -133.824
where: short stacking energy: -64.169
Base-Backbone interact. energy: -0.287
local terms energy: -61.426442
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -154.156535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.156535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.156535 (E_RNA)
where:
Base-Base interactions energy: -84.778
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.118
local terms energy: -69.260746
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -121.322469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.322469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.322469 (E_RNA)
where:
Base-Base interactions energy: -70.444
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.691
local terms energy: -50.187385
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -111.091516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.091516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.091516 (E_RNA)
where:
Base-Base interactions energy: -51.847
where: short stacking energy: -34.904
Base-Backbone interact. energy: -1.467
local terms energy: -57.777305
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -103.352565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.352565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.352565 (E_RNA)
where:
Base-Base interactions energy: -49.266
where: short stacking energy: -36.040
Base-Backbone interact. energy: -0.105
local terms energy: -53.981206
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -3.991
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: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -83.402813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.402813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.402813 (E_RNA)
where:
Base-Base interactions energy: -39.806
where: short stacking energy: -21.687
Base-Backbone interact. energy: -0.859
local terms energy: -42.737537
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -264.383989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.383989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.383989 (E_RNA)
where:
Base-Base interactions energy: -191.766
where: short stacking energy: -69.208
Base-Backbone interact. energy: -1.392
local terms energy: -71.225362
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -222.411674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.411674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.411674 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.072
local terms energy: -78.810664
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -206.219776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.219776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.219776 (E_RNA)
where:
Base-Base interactions energy: -138.751
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.027
local terms energy: -67.441493
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -200.725572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.725572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.725572 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -51.890
Base-Backbone interact. energy: 0.159
local terms energy: -68.953177
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -192.881210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.881210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.881210 (E_RNA)
where:
Base-Base interactions energy: -123.936
where: short stacking energy: -53.992
Base-Backbone interact. energy: -0.574
local terms energy: -68.370974
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -139.993462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.993462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.993462 (E_RNA)
where:
Base-Base interactions energy: -83.849
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.310
local terms energy: -55.834934
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -8.737
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: 124
Temperature: 1.200000
Total energy: -103.502305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.502305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.502305 (E_RNA)
where:
Base-Base interactions energy: -44.670
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.336
local terms energy: -58.496577
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -105.488922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.488922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.488922 (E_RNA)
where:
Base-Base interactions energy: -50.823
where: short stacking energy: -29.067
Base-Backbone interact. energy: 0.215
local terms energy: -54.880673
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -104.238043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.238043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.238043 (E_RNA)
where:
Base-Base interactions energy: -47.184
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.098
local terms energy: -56.956031
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -85.057712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.057712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.057712 (E_RNA)
where:
Base-Base interactions energy: -33.270
where: short stacking energy: -25.380
Base-Backbone interact. energy: 0.328
local terms energy: -52.115433
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -8.628
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: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -268.696711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.696711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.696711 (E_RNA)
where:
Base-Base interactions energy: -193.192
where: short stacking energy: -64.196
Base-Backbone interact. energy: -1.382
local terms energy: -74.122331
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -228.470322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.470322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.470322 (E_RNA)
where:
Base-Base interactions energy: -150.556
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.001
local terms energy: -77.912488
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -18.686
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: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -208.409933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.409933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.409933 (E_RNA)
where:
Base-Base interactions energy: -132.226
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.003
local terms energy: -76.181089
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -15.800
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: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -226.813748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.813748 (E_RNA)
where:
Base-Base interactions energy: -147.067
where: short stacking energy: -76.279
Base-Backbone interact. energy: -0.324
local terms energy: -79.422124
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -184.924781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.924781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.924781 (E_RNA)
where:
Base-Base interactions energy: -118.121
where: short stacking energy: -58.647
Base-Backbone interact. energy: -0.034
local terms energy: -66.769586
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -120.820070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.820070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.820070 (E_RNA)
where:
Base-Base interactions energy: -55.672
where: short stacking energy: -48.051
Base-Backbone interact. energy: -0.026
local terms energy: -65.121732
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -13.196
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: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -134.545461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.545461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.545461 (E_RNA)
where:
Base-Base interactions energy: -78.005
where: short stacking energy: -38.010
Base-Backbone interact. energy: -0.247
local terms energy: -56.292996
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -2.886
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: 125
Temperature: 1.250000
Total energy: -86.530543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.530543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.530543 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.063
local terms energy: -53.340324
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -83.707359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.707359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.707359 (E_RNA)
where:
Base-Base interactions energy: -26.941
where: short stacking energy: -26.941
Base-Backbone interact. energy: 0.029
local terms energy: -56.795372
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -75.985720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.985720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.985720 (E_RNA)
where:
Base-Base interactions energy: -30.331
where: short stacking energy: -17.171
Base-Backbone interact. energy: 2.513
local terms energy: -48.167707
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -265.705883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.705883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.705883 (E_RNA)
where:
Base-Base interactions energy: -186.729
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.577
local terms energy: -78.400083
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -228.428018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.428018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.428018 (E_RNA)
where:
Base-Base interactions energy: -158.375
where: short stacking energy: -65.625
Base-Backbone interact. energy: -0.137
local terms energy: -69.916114
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -228.408122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.408122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.408122 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -68.095
Base-Backbone interact. energy: -0.004
local terms energy: -79.974801
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -14.136
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: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -223.342144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.342144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.342144 (E_RNA)
where:
Base-Base interactions energy: -150.934
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.113
local terms energy: -72.294921
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -10.740
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: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -179.366804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.366804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.366804 (E_RNA)
where:
Base-Base interactions energy: -107.972
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.010
local terms energy: -71.385102
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.260
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: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -115.597678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.597678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.597678 (E_RNA)
where:
Base-Base interactions energy: -50.769
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.121
local terms energy: -64.707330
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -3.717
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: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -170.823831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.823831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.823831 (E_RNA)
where:
Base-Base interactions energy: -113.722
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.395
local terms energy: -56.706991
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -11.683
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: 126
Temperature: 1.250000
Total energy: -99.821074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.821074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.821074 (E_RNA)
where:
Base-Base interactions energy: -41.581
where: short stacking energy: -33.892
Base-Backbone interact. energy: -0.150
local terms energy: -58.089333
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.090
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: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -97.924588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.924588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.924588 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -28.210
Base-Backbone interact. energy: -0.123
local terms energy: -68.551742
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -85.742822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.742822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.742822 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -17.335
Base-Backbone interact. energy: -0.595
local terms energy: -55.870932
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -265.450366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.450366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.450366 (E_RNA)
where:
Base-Base interactions energy: -186.930
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.005
local terms energy: -78.516229
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -17.628
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: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -223.300151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.300151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.300151 (E_RNA)
where:
Base-Base interactions energy: -144.423
where: short stacking energy: -68.446
Base-Backbone interact. energy: -0.010
local terms energy: -78.866646
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -16.604
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: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -216.040588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.040588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.040588 (E_RNA)
where:
Base-Base interactions energy: -130.730
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.054
local terms energy: -85.256834
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -206.587031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.587031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.587031 (E_RNA)
where:
Base-Base interactions energy: -134.597
where: short stacking energy: -61.143
Base-Backbone interact. energy: -0.140
local terms energy: -71.850041
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -198.612330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.612330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.612330 (E_RNA)
where:
Base-Base interactions energy: -125.699
where: short stacking energy: -68.382
Base-Backbone interact. energy: -0.008
local terms energy: -72.905771
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -157.411072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.411072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.411072 (E_RNA)
where:
Base-Base interactions energy: -101.399
where: short stacking energy: -47.233
Base-Backbone interact. energy: -0.130
local terms energy: -55.882151
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.709
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: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -93.915499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.915499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.915499 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -33.694
Base-Backbone interact. energy: -0.725
local terms energy: -56.916754
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -1.759
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: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -97.800988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.800988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.800988 (E_RNA)
where:
Base-Base interactions energy: -37.041
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.091
local terms energy: -60.668495
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -97.676380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.676380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.676380 (E_RNA)
where:
Base-Base interactions energy: -43.112
where: short stacking energy: -29.291
Base-Backbone interact. energy: -0.564
local terms energy: -53.999550
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -86.741260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.741260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.741260 (E_RNA)
where:
Base-Base interactions energy: -35.584
where: short stacking energy: -14.214
Base-Backbone interact. energy: 0.874
local terms energy: -52.031899
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -223.550994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.550994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.550994 (E_RNA)
where:
Base-Base interactions energy: -147.194
where: short stacking energy: -78.669
Base-Backbone interact. energy: -0.032
local terms energy: -76.324542
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -250.894716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.894716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.894716 (E_RNA)
where:
Base-Base interactions energy: -172.929
where: short stacking energy: -67.158
Base-Backbone interact. energy: -0.378
local terms energy: -77.586888
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -213.175456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.175456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.175456 (E_RNA)
where:
Base-Base interactions energy: -131.077
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.102
local terms energy: -81.996215
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -205.222700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.222700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.222700 (E_RNA)
where:
Base-Base interactions energy: -132.347
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.084
local terms energy: -72.790730
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -199.685234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.685234 (E_RNA)
where:
Base-Base interactions energy: -131.335
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.069
local terms energy: -68.281065
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.940
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: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -178.569320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.569320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.569320 (E_RNA)
where:
Base-Base interactions energy: -120.610
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.107
local terms energy: -57.852474
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -8.834
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -101.251501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.251501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.251501 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -33.402
Base-Backbone interact. energy: -0.159
local terms energy: -64.480859
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -113.378907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.378907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.378907 (E_RNA)
where:
Base-Base interactions energy: -41.822
where: short stacking energy: -38.972
Base-Backbone interact. energy: -0.779
local terms energy: -70.778433
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.088
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: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -80.937395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.937395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.937395 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -33.542
Base-Backbone interact. energy: 0.597
local terms energy: -36.416739
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: 1.987
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: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -85.482340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.482340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.482340 (E_RNA)
where:
Base-Base interactions energy: -38.234
where: short stacking energy: -33.200
Base-Backbone interact. energy: 1.244
local terms energy: -48.492491
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -218.540203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.540203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.540203 (E_RNA)
where:
Base-Base interactions energy: -139.012
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.269
local terms energy: -79.259097
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -11.823
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: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -238.917290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.917290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.917290 (E_RNA)
where:
Base-Base interactions energy: -155.407
where: short stacking energy: -58.849
Base-Backbone interact. energy: -0.683
local terms energy: -82.827204
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -20.934
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: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -208.932105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.932105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.932105 (E_RNA)
where:
Base-Base interactions energy: -136.884
where: short stacking energy: -69.366
Base-Backbone interact. energy: -0.037
local terms energy: -72.010665
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -17.023
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: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -207.216961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.216961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.216961 (E_RNA)
where:
Base-Base interactions energy: -137.716
where: short stacking energy: -58.002
Base-Backbone interact. energy: -0.046
local terms energy: -69.455034
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -201.075975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075975 (E_RNA)
where:
Base-Base interactions energy: -131.287
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.123
local terms energy: -69.665791
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -104.933197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.933197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.933197 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -42.180
Base-Backbone interact. energy: -0.154
local terms energy: -62.598929
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -11.267
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: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -163.976920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.976920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.976920 (E_RNA)
where:
Base-Base interactions energy: -96.887
where: short stacking energy: -39.944
Base-Backbone interact. energy: -0.688
local terms energy: -66.402182
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.250
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: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -89.289058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.289058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.289058 (E_RNA)
where:
Base-Base interactions energy: -38.008
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.373
local terms energy: -50.908767
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -95.736657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.736657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.736657 (E_RNA)
where:
Base-Base interactions energy: -47.853
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.441
local terms energy: -47.442638
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -8.141
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -105.413789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.413789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.413789 (E_RNA)
where:
Base-Base interactions energy: -35.820
where: short stacking energy: -27.273
Base-Backbone interact. energy: -0.871
local terms energy: -68.723276
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -249.995949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.995949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.995949 (E_RNA)
where:
Base-Base interactions energy: -176.139
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.159
local terms energy: -73.697667
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -229.208835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.208835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.208835 (E_RNA)
where:
Base-Base interactions energy: -153.937
where: short stacking energy: -74.184
Base-Backbone interact. energy: 0.058
local terms energy: -75.329636
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -8.978
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: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -208.626755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.626755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.626755 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.772
local terms energy: -69.592441
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -202.355219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.355219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.355219 (E_RNA)
where:
Base-Base interactions energy: -133.404
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.070
local terms energy: -68.880708
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -6.928
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -212.525357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.525357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.525357 (E_RNA)
where:
Base-Base interactions energy: -139.675
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.062
local terms energy: -72.788454
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -18.628
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: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -104.590515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.590515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.590515 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.054
local terms energy: -58.653247
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.509
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: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -174.777947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.777947 (E_RNA)
where:
Base-Base interactions energy: -109.147
where: short stacking energy: -43.950
Base-Backbone interact. energy: -0.242
local terms energy: -65.389860
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -12.195
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: 130
Temperature: 1.250000
Total energy: -93.999318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.999318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.999318 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.458
local terms energy: -63.544654
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -5.296
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: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -82.160408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.160408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.160408 (E_RNA)
where:
Base-Base interactions energy: -38.812
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.601
local terms energy: -42.748357
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -1.718
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: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -81.258512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.258512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.258512 (E_RNA)
where:
Base-Base interactions energy: -36.512
where: short stacking energy: -24.237
Base-Backbone interact. energy: -0.133
local terms energy: -44.613513
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -8.106
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: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -246.860742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.860742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.860742 (E_RNA)
where:
Base-Base interactions energy: -168.489
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.346
local terms energy: -78.026022
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -225.383543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.383543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.383543 (E_RNA)
where:
Base-Base interactions energy: -157.145
where: short stacking energy: -66.284
Base-Backbone interact. energy: -0.485
local terms energy: -67.754096
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -203.169181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.169181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.169181 (E_RNA)
where:
Base-Base interactions energy: -132.471
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.082
local terms energy: -70.616563
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -208.026420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026420 (E_RNA)
where:
Base-Base interactions energy: -143.763
where: short stacking energy: -62.473
Base-Backbone interact. energy: -0.012
local terms energy: -64.251858
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -8.035
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: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -192.596714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.596714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.596714 (E_RNA)
where:
Base-Base interactions energy: -115.920
where: short stacking energy: -61.786
Base-Backbone interact. energy: -0.144
local terms energy: -76.532844
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.069
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: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -175.045560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.045560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.045560 (E_RNA)
where:
Base-Base interactions energy: -108.423
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.743
local terms energy: -65.879495
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -97.539872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.539872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.539872 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -31.484
Base-Backbone interact. energy: -0.325
local terms energy: -63.165875
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -104.565757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.565757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.565757 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -31.286
Base-Backbone interact. energy: -0.521
local terms energy: -60.829000
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -83.370580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.370580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.370580 (E_RNA)
where:
Base-Base interactions energy: -27.295
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.107
local terms energy: -55.969027
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -126.965144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.965144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.965144 (E_RNA)
where:
Base-Base interactions energy: -67.558
where: short stacking energy: -29.125
Base-Backbone interact. energy: 0.837
local terms energy: -60.244171
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -8.286
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: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -246.491937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.491937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.491937 (E_RNA)
where:
Base-Base interactions energy: -161.445
where: short stacking energy: -68.074
Base-Backbone interact. energy: -0.571
local terms energy: -84.476096
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -218.615171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.615171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.615171 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -72.741
Base-Backbone interact. energy: -0.027
local terms energy: -77.923561
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -209.033707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.033707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.033707 (E_RNA)
where:
Base-Base interactions energy: -136.948
where: short stacking energy: -52.844
Base-Backbone interact. energy: -0.929
local terms energy: -71.156693
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.804
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -210.007894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.007894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.007894 (E_RNA)
where:
Base-Base interactions energy: -137.031
where: short stacking energy: -72.106
Base-Backbone interact. energy: 2.155
local terms energy: -75.132016
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -192.115978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.115978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.115978 (E_RNA)
where:
Base-Base interactions energy: -118.914
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.115
local terms energy: -73.086836
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -16.646
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: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -159.029635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.029635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.029635 (E_RNA)
where:
Base-Base interactions energy: -95.582
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.016
local terms energy: -63.432241
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -100.967362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.967362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.967362 (E_RNA)
where:
Base-Base interactions energy: -37.437
where: short stacking energy: -29.550
Base-Backbone interact. energy: 0.359
local terms energy: -63.889090
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -94.386623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.386623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.386623 (E_RNA)
where:
Base-Base interactions energy: -29.593
where: short stacking energy: -29.983
Base-Backbone interact. energy: 1.174
local terms energy: -65.967862
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -86.798985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798985 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -22.383
Base-Backbone interact. energy: 1.493
local terms energy: -44.333637
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -2.288
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: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -96.220622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.220622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.220622 (E_RNA)
where:
Base-Base interactions energy: -43.946
where: short stacking energy: -38.017
Base-Backbone interact. energy: 0.445
local terms energy: -52.720006
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -257.756293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.756293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.756293 (E_RNA)
where:
Base-Base interactions energy: -185.847
where: short stacking energy: -62.090
Base-Backbone interact. energy: -1.636
local terms energy: -70.273617
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -210.926089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.926089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.926089 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -71.863
Base-Backbone interact. energy: -0.104
local terms energy: -77.481290
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -12.203
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: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -210.206272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.206272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.206272 (E_RNA)
where:
Base-Base interactions energy: -136.550
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.289
local terms energy: -73.367272
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -196.835396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.835396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.835396 (E_RNA)
where:
Base-Base interactions energy: -116.645
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.088
local terms energy: -80.103067
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -191.490320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.490320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.490320 (E_RNA)
where:
Base-Base interactions energy: -124.697
where: short stacking energy: -47.151
Base-Backbone interact. energy: -0.354
local terms energy: -66.439060
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -13.327
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: 133
Temperature: 1.150000
Total energy: -104.669173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.669173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.669173 (E_RNA)
where:
Base-Base interactions energy: -49.637
where: short stacking energy: -34.316
Base-Backbone interact. energy: 0.426
local terms energy: -55.458181
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -176.858251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.858251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.858251 (E_RNA)
where:
Base-Base interactions energy: -112.817
where: short stacking energy: -48.539
Base-Backbone interact. energy: -0.129
local terms energy: -63.912420
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.144565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144565 (E_RNA)
where:
Base-Base interactions energy: -30.023
where: short stacking energy: -29.235
Base-Backbone interact. energy: 0.248
local terms energy: -55.369268
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -4.230
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -82.063385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.063385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.063385 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.116
local terms energy: -50.144890
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -87.043564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.043564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.043564 (E_RNA)
where:
Base-Base interactions energy: -36.085
where: short stacking energy: -35.703
Base-Backbone interact. energy: -0.154
local terms energy: -50.804675
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -2.360
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: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -260.711056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.711056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.711056 (E_RNA)
where:
Base-Base interactions energy: -185.853
where: short stacking energy: -53.669
Base-Backbone interact. energy: -3.700
local terms energy: -71.158827
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -221.014083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.014083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.014083 (E_RNA)
where:
Base-Base interactions energy: -145.516
where: short stacking energy: -62.122
Base-Backbone interact. energy: -1.697
local terms energy: -73.801776
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -223.318046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.318046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.318046 (E_RNA)
where:
Base-Base interactions energy: -149.352
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.012
local terms energy: -73.954097
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -195.076062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.076062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.076062 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.057
local terms energy: -78.226094
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -184.444980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.444980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.444980 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -60.369
Base-Backbone interact. energy: -0.334
local terms energy: -64.376932
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -147.523734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.523734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.523734 (E_RNA)
where:
Base-Base interactions energy: -88.180
where: short stacking energy: -39.975
Base-Backbone interact. energy: -0.067
local terms energy: -59.277016
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -168.795238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.795238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.795238 (E_RNA)
where:
Base-Base interactions energy: -110.046
where: short stacking energy: -50.740
Base-Backbone interact. energy: -0.398
local terms energy: -58.352144
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -92.276825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.276825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.276825 (E_RNA)
where:
Base-Base interactions energy: -38.783
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.262
local terms energy: -53.232540
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -5.633
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: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -76.025318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.025318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.025318 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -27.480
Base-Backbone interact. energy: -0.668
local terms energy: -47.310300
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -11.142
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: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -84.924312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924312 (E_RNA)
where:
Base-Base interactions energy: -35.989
where: short stacking energy: -28.965
Base-Backbone interact. energy: 0.325
local terms energy: -49.260269
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -258.030604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.030604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.030604 (E_RNA)
where:
Base-Base interactions energy: -182.373
where: short stacking energy: -75.365
Base-Backbone interact. energy: 0.205
local terms energy: -75.862267
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -219.654412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.654412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654412 (E_RNA)
where:
Base-Base interactions energy: -144.638
where: short stacking energy: -60.053
Base-Backbone interact. energy: 0.453
local terms energy: -75.469136
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -203.150035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.150035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.150035 (E_RNA)
where:
Base-Base interactions energy: -124.326
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.782
local terms energy: -78.041965
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -173.387276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.387276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.387276 (E_RNA)
where:
Base-Base interactions energy: -104.642
where: short stacking energy: -59.230
Base-Backbone interact. energy: -0.069
local terms energy: -68.676405
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -189.080804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.080804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.080804 (E_RNA)
where:
Base-Base interactions energy: -117.814
where: short stacking energy: -54.405
Base-Backbone interact. energy: -0.016
local terms energy: -71.250155
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -171.299746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.299746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.299746 (E_RNA)
where:
Base-Base interactions energy: -96.019
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.186
local terms energy: -75.094913
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -14.344
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: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -180.719503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.719503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.719503 (E_RNA)
where:
Base-Base interactions energy: -109.100
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.673
local terms energy: -70.946865
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -100.046493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.046493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.046493 (E_RNA)
where:
Base-Base interactions energy: -45.142
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.114
local terms energy: -54.790507
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -88.871947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.871947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.871947 (E_RNA)
where:
Base-Base interactions energy: -31.751
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.142
local terms energy: -56.979644
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -79.932644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.932644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.932644 (E_RNA)
where:
Base-Base interactions energy: -35.427
where: short stacking energy: -30.833
Base-Backbone interact. energy: -0.063
local terms energy: -44.442681
where:
bonds (distance) C4'-P energy: -4.510
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -251.319134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.319134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.319134 (E_RNA)
where:
Base-Base interactions energy: -174.497
where: short stacking energy: -65.809
Base-Backbone interact. energy: -0.587
local terms energy: -76.234733
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -223.734978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.734978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.734978 (E_RNA)
where:
Base-Base interactions energy: -150.041
where: short stacking energy: -69.031
Base-Backbone interact. energy: -0.143
local terms energy: -73.550742
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -12.447
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: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -195.271285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.271285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.271285 (E_RNA)
where:
Base-Base interactions energy: -116.508
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.047
local terms energy: -78.716056
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -190.477519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.477519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.477519 (E_RNA)
where:
Base-Base interactions energy: -115.971
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.019
local terms energy: -74.487374
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -15.825
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: 136
Temperature: 1.100000
Total energy: -182.225141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.225141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.225141 (E_RNA)
where:
Base-Base interactions energy: -111.747
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.238
local terms energy: -70.240330
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -158.280270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.280270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.280270 (E_RNA)
where:
Base-Base interactions energy: -101.328
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.827
local terms energy: -56.124790
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -169.142920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.142920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.142920 (E_RNA)
where:
Base-Base interactions energy: -102.097
where: short stacking energy: -49.580
Base-Backbone interact. energy: -0.051
local terms energy: -66.995107
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -137.471639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.471639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.471639 (E_RNA)
where:
Base-Base interactions energy: -81.959
where: short stacking energy: -42.248
Base-Backbone interact. energy: 1.405
local terms energy: -56.917548
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -10.338
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: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -88.698211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698211 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.699
local terms energy: -52.878144
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -77.447260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.447260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.447260 (E_RNA)
where:
Base-Base interactions energy: -27.814
where: short stacking energy: -23.291
Base-Backbone interact. energy: -0.144
local terms energy: -49.489082
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -254.643247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.643247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.643247 (E_RNA)
where:
Base-Base interactions energy: -174.835
where: short stacking energy: -71.679
Base-Backbone interact. energy: -0.073
local terms energy: -79.735331
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -223.466306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.466306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.466306 (E_RNA)
where:
Base-Base interactions energy: -141.760
where: short stacking energy: -64.366
Base-Backbone interact. energy: -0.651
local terms energy: -81.054715
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -203.201710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.201710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.201710 (E_RNA)
where:
Base-Base interactions energy: -120.830
where: short stacking energy: -61.049
Base-Backbone interact. energy: -0.003
local terms energy: -82.368369
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -206.257732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.257732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.257732 (E_RNA)
where:
Base-Base interactions energy: -134.165
where: short stacking energy: -56.717
Base-Backbone interact. energy: 1.444
local terms energy: -73.536914
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.386
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: 137
Temperature: 1.100000
Total energy: -178.519723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.519723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.519723 (E_RNA)
where:
Base-Base interactions energy: -108.466
where: short stacking energy: -53.665
Base-Backbone interact. energy: -0.060
local terms energy: -69.993515
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.320
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -177.538762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.538762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.538762 (E_RNA)
where:
Base-Base interactions energy: -122.152
where: short stacking energy: -46.599
Base-Backbone interact. energy: -0.230
local terms energy: -55.157169
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -140.727032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.727032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.727032 (E_RNA)
where:
Base-Base interactions energy: -77.768
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.733
local terms energy: -62.227016
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -163.156486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.156486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.156486 (E_RNA)
where:
Base-Base interactions energy: -96.451
where: short stacking energy: -55.654
Base-Backbone interact. energy: -0.164
local terms energy: -66.540763
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -95.213710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.213710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.213710 (E_RNA)
where:
Base-Base interactions energy: -36.935
where: short stacking energy: -36.745
Base-Backbone interact. energy: -0.153
local terms energy: -58.125430
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -6.777
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: 10, replica: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -85.280527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.280527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.280527 (E_RNA)
where:
Base-Base interactions energy: -36.476
where: short stacking energy: -29.698
Base-Backbone interact. energy: -1.075
local terms energy: -47.729492
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -260.657842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.657842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.657842 (E_RNA)
where:
Base-Base interactions energy: -196.734
where: short stacking energy: -63.676
Base-Backbone interact. energy: -1.802
local terms energy: -62.121021
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -2.384
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: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -214.119486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.119486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.119486 (E_RNA)
where:
Base-Base interactions energy: -144.121
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.003
local terms energy: -69.995662
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -190.962114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.962114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.962114 (E_RNA)
where:
Base-Base interactions energy: -121.945
where: short stacking energy: -49.906
Base-Backbone interact. energy: -1.282
local terms energy: -67.734525
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -11.463
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: 138
Temperature: 1.050000
Total energy: -177.071027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.071027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.071027 (E_RNA)
where:
Base-Base interactions energy: -108.362
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.111
local terms energy: -68.597682
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.660
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: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -196.910154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.910154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.910154 (E_RNA)
where:
Base-Base interactions energy: -140.715
where: short stacking energy: -58.679
Base-Backbone interact. energy: -0.394
local terms energy: -55.801004
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -5.027
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: 138
Temperature: 1.150000
Total energy: -181.554536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.554536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.554536 (E_RNA)
where:
Base-Base interactions energy: -112.123
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.663
local terms energy: -68.768260
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -155.838028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.838028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.838028 (E_RNA)
where:
Base-Base interactions energy: -89.860
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.057
local terms energy: -65.920968
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -116.404100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.404100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.404100 (E_RNA)
where:
Base-Base interactions energy: -63.922
where: short stacking energy: -36.921
Base-Backbone interact. energy: -0.122
local terms energy: -52.360407
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -9.359
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: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -83.642405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.642405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.642405 (E_RNA)
where:
Base-Base interactions energy: -36.326
where: short stacking energy: -24.568
Base-Backbone interact. energy: -0.766
local terms energy: -46.550786
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -75.764986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.764986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.764986 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -18.720
Base-Backbone interact. energy: -0.070
local terms energy: -47.967845
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: 1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -258.670376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.670376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.670376 (E_RNA)
where:
Base-Base interactions energy: -181.036
where: short stacking energy: -64.445
Base-Backbone interact. energy: -0.955
local terms energy: -76.680270
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -211.202115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.202115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.202115 (E_RNA)
where:
Base-Base interactions energy: -150.208
where: short stacking energy: -60.166
Base-Backbone interact. energy: 0.091
local terms energy: -61.084437
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -8.100
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: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -197.051493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.051493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.051493 (E_RNA)
where:
Base-Base interactions energy: -113.815
where: short stacking energy: -60.066
Base-Backbone interact. energy: -0.334
local terms energy: -82.902539
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -201.965858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.965858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.965858 (E_RNA)
where:
Base-Base interactions energy: -116.400
where: short stacking energy: -63.238
Base-Backbone interact. energy: -0.015
local terms energy: -85.551072
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -188.655187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.655187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.655187 (E_RNA)
where:
Base-Base interactions energy: -114.470
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.178
local terms energy: -74.006971
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -16.348
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: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -164.772885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.772885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.772885 (E_RNA)
where:
Base-Base interactions energy: -90.237
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.004
local terms energy: -74.531450
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -14.400
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -125.927099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.927099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.927099 (E_RNA)
where:
Base-Base interactions energy: -66.909
where: short stacking energy: -34.423
Base-Backbone interact. energy: -0.691
local terms energy: -58.327395
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -97.278626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.278626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.278626 (E_RNA)
where:
Base-Base interactions energy: -54.239
where: short stacking energy: -38.219
Base-Backbone interact. energy: 1.386
local terms energy: -44.426187
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -89.941130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.941130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.941130 (E_RNA)
where:
Base-Base interactions energy: -43.961
where: short stacking energy: -22.296
Base-Backbone interact. energy: 1.145
local terms energy: -47.124584
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -91.087269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.087269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.087269 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -34.188
Base-Backbone interact. energy: 0.585
local terms energy: -57.484333
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -224.414327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.414327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.414327 (E_RNA)
where:
Base-Base interactions energy: -141.528
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.105
local terms energy: -82.780986
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -240.813350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.813350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.813350 (E_RNA)
where:
Base-Base interactions energy: -162.272
where: short stacking energy: -71.367
Base-Backbone interact. energy: -1.189
local terms energy: -77.351728
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -187.471849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.471849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.471849 (E_RNA)
where:
Base-Base interactions energy: -110.863
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.612
local terms energy: -75.996228
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -187.024778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.024778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.024778 (E_RNA)
where:
Base-Base interactions energy: -116.824
where: short stacking energy: -71.240
Base-Backbone interact. energy: 2.284
local terms energy: -72.484452
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -198.502087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.502087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.502087 (E_RNA)
where:
Base-Base interactions energy: -123.216
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.070
local terms energy: -75.216483
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -8.771
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: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -133.931160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.931160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.931160 (E_RNA)
where:
Base-Base interactions energy: -72.513
where: short stacking energy: -39.532
Base-Backbone interact. energy: -0.032
local terms energy: -61.385845
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -99.981528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.981528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.981528 (E_RNA)
where:
Base-Base interactions energy: -41.596
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.212
local terms energy: -58.173334
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -96.161556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.161556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.161556 (E_RNA)
where:
Base-Base interactions energy: -52.220
where: short stacking energy: -23.509
Base-Backbone interact. energy: -0.267
local terms energy: -43.674963
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -1.846
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -88.322816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.322816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.322816 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -28.918
Base-Backbone interact. energy: -0.256
local terms energy: -58.686308
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.342
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: 140
Temperature: 1.350000
Total energy: -93.607375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.607375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.607375 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -29.825
Base-Backbone interact. energy: -0.022
local terms energy: -63.206271
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -0.613
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: 141
Temperature: 0.900000
Total energy: -212.195191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.195191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.195191 (E_RNA)
where:
Base-Base interactions energy: -133.683
where: short stacking energy: -64.035
Base-Backbone interact. energy: -0.127
local terms energy: -78.385836
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -191.957874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.957874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.957874 (E_RNA)
where:
Base-Base interactions energy: -115.730
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.055
local terms energy: -76.172602
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -246.308181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.308181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.308181 (E_RNA)
where:
Base-Base interactions energy: -176.119
where: short stacking energy: -72.398
Base-Backbone interact. energy: -0.305
local terms energy: -69.884080
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -200.303311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.303311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.303311 (E_RNA)
where:
Base-Base interactions energy: -131.851
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.068
local terms energy: -68.384781
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -13.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -190.151640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.151640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.151640 (E_RNA)
where:
Base-Base interactions energy: -112.457
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.019
local terms energy: -77.675670
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -17.704
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: 141
Temperature: 1.150000
Total energy: -144.390245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.390245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.390245 (E_RNA)
where:
Base-Base interactions energy: -88.528
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.350
local terms energy: -55.512219
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -6.322
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: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -102.145182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.145182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.145182 (E_RNA)
where:
Base-Base interactions energy: -44.313
where: short stacking energy: -39.272
Base-Backbone interact. energy: -0.018
local terms energy: -57.813644
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -93.568397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.568397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.568397 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -33.677
Base-Backbone interact. energy: 1.288
local terms energy: -56.017903
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -7.864
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: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -79.177297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.177297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.177297 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -25.624
Base-Backbone interact. energy: -1.675
local terms energy: -42.195861
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -6.042
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -76.744169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.744169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.744169 (E_RNA)
where:
Base-Base interactions energy: -31.206
where: short stacking energy: -30.483
Base-Backbone interact. energy: 0.671
local terms energy: -46.208667
where:
bonds (distance) C4'-P energy: -7.318
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -7.262
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -221.212195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.212195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.212195 (E_RNA)
where:
Base-Base interactions energy: -140.774
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.007
local terms energy: -80.430756
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -215.277248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.277248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.277248 (E_RNA)
where:
Base-Base interactions energy: -139.676
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.020
local terms energy: -75.582144
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -18.237
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: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -238.605753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.605753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.605753 (E_RNA)
where:
Base-Base interactions energy: -162.107
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.148
local terms energy: -76.350571
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -205.700627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.700627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.700627 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.055
local terms energy: -84.223111
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -188.383631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.383631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.383631 (E_RNA)
where:
Base-Base interactions energy: -116.069
where: short stacking energy: -56.311
Base-Backbone interact. energy: -0.131
local terms energy: -72.183701
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -12.209
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: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -153.241602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.241602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.241602 (E_RNA)
where:
Base-Base interactions energy: -93.568
where: short stacking energy: -43.958
Base-Backbone interact. energy: -0.057
local terms energy: -59.616026
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -8.630
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: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -106.493486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.493486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.493486 (E_RNA)
where:
Base-Base interactions energy: -44.314
where: short stacking energy: -39.180
Base-Backbone interact. energy: 0.257
local terms energy: -62.436258
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -88.593038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.593038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.593038 (E_RNA)
where:
Base-Base interactions energy: -39.252
where: short stacking energy: -38.304
Base-Backbone interact. energy: 0.598
local terms energy: -49.938667
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -97.064096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.064096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.064096 (E_RNA)
where:
Base-Base interactions energy: -39.662
where: short stacking energy: -34.788
Base-Backbone interact. energy: -0.126
local terms energy: -57.275959
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -87.662766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662766 (E_RNA)
where:
Base-Base interactions energy: -26.998
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.152
local terms energy: -60.513014
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -6.050
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: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -214.847032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.847032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.847032 (E_RNA)
where:
Base-Base interactions energy: -135.502
where: short stacking energy: -66.723
Base-Backbone interact. energy: -0.014
local terms energy: -79.330986
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -246.863396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.863396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.863396 (E_RNA)
where:
Base-Base interactions energy: -166.508
where: short stacking energy: -73.403
Base-Backbone interact. energy: -0.641
local terms energy: -79.714840
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -16.596
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: 143
Temperature: 1.000000
Total energy: -219.850151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.850151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.850151 (E_RNA)
where:
Base-Base interactions energy: -146.937
where: short stacking energy: -68.590
Base-Backbone interact. energy: -0.295
local terms energy: -72.618628
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -11.986
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: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -204.280961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.280961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.280961 (E_RNA)
where:
Base-Base interactions energy: -128.295
where: short stacking energy: -74.823
Base-Backbone interact. energy: -0.059
local terms energy: -75.927034
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -172.294154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.294154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.294154 (E_RNA)
where:
Base-Base interactions energy: -106.192
where: short stacking energy: -49.048
Base-Backbone interact. energy: -0.075
local terms energy: -66.026372
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -196.861192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.861192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.861192 (E_RNA)
where:
Base-Base interactions energy: -123.106
where: short stacking energy: -53.116
Base-Backbone interact. energy: -0.017
local terms energy: -73.738664
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -105.117520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.117520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.117520 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -36.752
Base-Backbone interact. energy: -0.353
local terms energy: -64.442526
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -6.173
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: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -103.746093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.746093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.746093 (E_RNA)
where:
Base-Base interactions energy: -48.283
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.180
local terms energy: -55.283351
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -98.863209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.863209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.863209 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -40.030
Base-Backbone interact. energy: 0.500
local terms energy: -52.626091
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -84.817961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.817961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.817961 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -28.165
Base-Backbone interact. energy: -0.874
local terms energy: -54.506040
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -2.000
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -258.190082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.190082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.190082 (E_RNA)
where:
Base-Base interactions energy: -177.484
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.370
local terms energy: -80.336141
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -211.873538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.873538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.873538 (E_RNA)
where:
Base-Base interactions energy: -135.201
where: short stacking energy: -63.359
Base-Backbone interact. energy: -0.051
local terms energy: -76.620947
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -209.188823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.188823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.188823 (E_RNA)
where:
Base-Base interactions energy: -141.415
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.037
local terms energy: -67.737092
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -203.977744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.977744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.977744 (E_RNA)
where:
Base-Base interactions energy: -132.453
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.013
local terms energy: -71.511803
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -15.843
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: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -174.920794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.920794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.920794 (E_RNA)
where:
Base-Base interactions energy: -105.760
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.033
local terms energy: -69.127903
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -11.610
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: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -153.471837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.471837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.471837 (E_RNA)
where:
Base-Base interactions energy: -92.358
where: short stacking energy: -52.530
Base-Backbone interact. energy: 4.420
local terms energy: -65.533333
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -109.284838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.284838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.284838 (E_RNA)
where:
Base-Base interactions energy: -53.029
where: short stacking energy: -39.306
Base-Backbone interact. energy: -0.223
local terms energy: -56.032033
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -83.902797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.902797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.902797 (E_RNA)
where:
Base-Base interactions energy: -31.911
where: short stacking energy: -26.216
Base-Backbone interact. energy: -0.239
local terms energy: -51.752560
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: 3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -82.512583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.512583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.512583 (E_RNA)
where:
Base-Base interactions energy: -23.164
where: short stacking energy: -22.177
Base-Backbone interact. energy: -0.224
local terms energy: -59.124470
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -88.971974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.971974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.971974 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.086
local terms energy: -54.941995
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -251.925938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.925938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.925938 (E_RNA)
where:
Base-Base interactions energy: -174.290
where: short stacking energy: -71.752
Base-Backbone interact. energy: -1.205
local terms energy: -76.430719
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -15.452
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: 145
Temperature: 0.950000
Total energy: -231.031862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.031862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.031862 (E_RNA)
where:
Base-Base interactions energy: -152.331
where: short stacking energy: -73.185
Base-Backbone interact. energy: -0.341
local terms energy: -78.359733
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -6.553
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: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -208.043921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.043921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.043921 (E_RNA)
where:
Base-Base interactions energy: -130.786
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.015
local terms energy: -77.242216
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -15.687
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: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -210.394618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394618 (E_RNA)
where:
Base-Base interactions energy: -135.834
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.139
local terms energy: -74.421570
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -179.328042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.328042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.328042 (E_RNA)
where:
Base-Base interactions energy: -109.290
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.196
local terms energy: -69.841969
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -11.858
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: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -178.297769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.297769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.297769 (E_RNA)
where:
Base-Base interactions energy: -108.640
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.309
local terms energy: -69.348710
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -86.861912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.861912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.861912 (E_RNA)
where:
Base-Base interactions energy: -40.217
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.096
local terms energy: -46.548991
where:
bonds (distance) C4'-P energy: -9.129
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: 0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -103.171244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.171244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.171244 (E_RNA)
where:
Base-Base interactions energy: -43.213
where: short stacking energy: -40.870
Base-Backbone interact. energy: 0.295
local terms energy: -60.252583
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -96.897039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.897039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.897039 (E_RNA)
where:
Base-Base interactions energy: -36.884
where: short stacking energy: -34.546
Base-Backbone interact. energy: -0.113
local terms energy: -59.899734
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -91.303265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.303265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.303265 (E_RNA)
where:
Base-Base interactions energy: -28.624
where: short stacking energy: -28.023
Base-Backbone interact. energy: 0.677
local terms energy: -63.355782
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -246.237986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.237986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.237986 (E_RNA)
where:
Base-Base interactions energy: -165.854
where: short stacking energy: -72.037
Base-Backbone interact. energy: 0.813
local terms energy: -81.197504
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -227.258723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.258723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.258723 (E_RNA)
where:
Base-Base interactions energy: -155.874
where: short stacking energy: -69.336
Base-Backbone interact. energy: -0.586
local terms energy: -70.798113
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -9.914
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -215.445808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.445808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.445808 (E_RNA)
where:
Base-Base interactions energy: -138.172
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.035
local terms energy: -77.238801
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -189.378575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.378575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.378575 (E_RNA)
where:
Base-Base interactions energy: -116.570
where: short stacking energy: -60.736
Base-Backbone interact. energy: -0.001
local terms energy: -72.807479
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.528
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: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -176.451842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.451842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.451842 (E_RNA)
where:
Base-Base interactions energy: -115.599
where: short stacking energy: -42.573
Base-Backbone interact. energy: -0.082
local terms energy: -60.770256
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -166.398800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.398800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.398800 (E_RNA)
where:
Base-Base interactions energy: -97.044
where: short stacking energy: -47.135
Base-Backbone interact. energy: -0.355
local terms energy: -69.000059
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -12.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -104.265104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.265104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.265104 (E_RNA)
where:
Base-Base interactions energy: -44.203
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.200
local terms energy: -59.861585
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -123.186307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.186307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.186307 (E_RNA)
where:
Base-Base interactions energy: -69.605
where: short stacking energy: -31.522
Base-Backbone interact. energy: -1.425
local terms energy: -52.156252
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -85.038377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038377 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.060
local terms energy: -52.757126
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -75.590140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.590140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.590140 (E_RNA)
where:
Base-Base interactions energy: -19.138
where: short stacking energy: -18.581
Base-Backbone interact. energy: -0.211
local terms energy: -56.241193
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: 1.401
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: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -244.186057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.186057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.186057 (E_RNA)
where:
Base-Base interactions energy: -165.319
where: short stacking energy: -70.347
Base-Backbone interact. energy: 0.310
local terms energy: -79.177510
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -11.948
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: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -230.864365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.864365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.864365 (E_RNA)
where:
Base-Base interactions energy: -148.307
where: short stacking energy: -78.363
Base-Backbone interact. energy: -0.109
local terms energy: -82.448058
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -225.422384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.422384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.422384 (E_RNA)
where:
Base-Base interactions energy: -155.947
where: short stacking energy: -62.432
Base-Backbone interact. energy: 0.106
local terms energy: -69.580601
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -9.702
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: 147
Temperature: 1.050000
Total energy: -183.588521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.588521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.588521 (E_RNA)
where:
Base-Base interactions energy: -113.289
where: short stacking energy: -49.253
Base-Backbone interact. energy: -0.499
local terms energy: -69.800930
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -187.377436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.377436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.377436 (E_RNA)
where:
Base-Base interactions energy: -118.484
where: short stacking energy: -50.653
Base-Backbone interact. energy: -0.110
local terms energy: -68.782540
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.940
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: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -140.417600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.417600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.417600 (E_RNA)
where:
Base-Base interactions energy: -90.330
where: short stacking energy: -48.743
Base-Backbone interact. energy: -0.215
local terms energy: -49.872162
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -5.897
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: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -86.144883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.144883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.144883 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -26.188
Base-Backbone interact. energy: -0.062
local terms energy: -49.051281
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -110.904055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.904055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.904055 (E_RNA)
where:
Base-Base interactions energy: -53.048
where: short stacking energy: -35.167
Base-Backbone interact. energy: -0.385
local terms energy: -57.471682
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -87.395918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.395918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.395918 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.185
local terms energy: -56.208117
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -88.921134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.921134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.921134 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -33.791
Base-Backbone interact. energy: 1.338
local terms energy: -56.467824
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -7.875
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: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -228.587849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.587849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.587849 (E_RNA)
where:
Base-Base interactions energy: -145.470
where: short stacking energy: -71.683
Base-Backbone interact. energy: -0.024
local terms energy: -83.093410
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.630
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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -235.351847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.351847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.351847 (E_RNA)
where:
Base-Base interactions energy: -158.142
where: short stacking energy: -71.343
Base-Backbone interact. energy: -0.201
local terms energy: -77.008376
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -210.394365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394365 (E_RNA)
where:
Base-Base interactions energy: -130.955
where: short stacking energy: -65.982
Base-Backbone interact. energy: -0.005
local terms energy: -79.434281
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -206.401416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.401416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401416 (E_RNA)
where:
Base-Base interactions energy: -139.693
where: short stacking energy: -66.985
Base-Backbone interact. energy: 0.346
local terms energy: -67.054377
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -176.337103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.337103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.337103 (E_RNA)
where:
Base-Base interactions energy: -110.794
where: short stacking energy: -48.611
Base-Backbone interact. energy: -0.071
local terms energy: -65.472520
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -11.527
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: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -146.650047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.650047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.650047 (E_RNA)
where:
Base-Base interactions energy: -90.850
where: short stacking energy: -48.578
Base-Backbone interact. energy: -0.731
local terms energy: -55.068940
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -117.447491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.447491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.447491 (E_RNA)
where:
Base-Base interactions energy: -58.631
where: short stacking energy: -33.027
Base-Backbone interact. energy: -0.226
local terms energy: -58.590783
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -107.693235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.693235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.693235 (E_RNA)
where:
Base-Base interactions energy: -54.617
where: short stacking energy: -37.508
Base-Backbone interact. energy: -0.945
local terms energy: -52.131413
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -5.568
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: 148
Temperature: 1.300000
Total energy: -89.704928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.704928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.704928 (E_RNA)
where:
Base-Base interactions energy: -34.436
where: short stacking energy: -30.842
Base-Backbone interact. energy: -0.010
local terms energy: -55.258903
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -101.884598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.884598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.884598 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -29.701
Base-Backbone interact. energy: 0.051
local terms energy: -67.261794
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -232.099293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.099293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.099293 (E_RNA)
where:
Base-Base interactions energy: -143.510
where: short stacking energy: -75.385
Base-Backbone interact. energy: -0.003
local terms energy: -88.586197
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -12.313
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: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -233.802123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.802123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.802123 (E_RNA)
where:
Base-Base interactions energy: -158.312
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.918
local terms energy: -74.571231
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -212.904893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.904893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.904893 (E_RNA)
where:
Base-Base interactions energy: -139.823
where: short stacking energy: -66.824
Base-Backbone interact. energy: -1.056
local terms energy: -72.025884
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -191.864165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.864165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.864165 (E_RNA)
where:
Base-Base interactions energy: -115.325
where: short stacking energy: -62.796
Base-Backbone interact. energy: -0.092
local terms energy: -76.447109
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -185.666594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.666594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.666594 (E_RNA)
where:
Base-Base interactions energy: -116.513
where: short stacking energy: -53.543
Base-Backbone interact. energy: -0.034
local terms energy: -69.119445
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -5.189
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -171.851962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.851962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.851962 (E_RNA)
where:
Base-Base interactions energy: -105.565
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.791
local terms energy: -65.495686
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -11.649
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: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -93.657062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.657062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.657062 (E_RNA)
where:
Base-Base interactions energy: -38.216
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.555
local terms energy: -54.886620
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -94.879581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.879581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.879581 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -31.011
Base-Backbone interact. energy: -0.252
local terms energy: -57.825720
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -9.075
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: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -88.529984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.529984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.529984 (E_RNA)
where:
Base-Base interactions energy: -37.175
where: short stacking energy: -20.299
Base-Backbone interact. energy: -0.240
local terms energy: -51.114261
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: 2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -85.060207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.060207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.060207 (E_RNA)
where:
Base-Base interactions energy: -29.906
where: short stacking energy: -29.906
Base-Backbone interact. energy: -0.120
local terms energy: -55.034382
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -245.474535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.474535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.474535 (E_RNA)
where:
Base-Base interactions energy: -162.363
where: short stacking energy: -68.858
Base-Backbone interact. energy: 0.339
local terms energy: -83.450105
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -21.070
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -222.717568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.717568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.717568 (E_RNA)
where:
Base-Base interactions energy: -147.949
where: short stacking energy: -69.366
Base-Backbone interact. energy: 0.312
local terms energy: -75.081064
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -209.513306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.513306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.513306 (E_RNA)
where:
Base-Base interactions energy: -138.087
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.900
local terms energy: -70.526215
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -16.200
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: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -176.845617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.845617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.845617 (E_RNA)
where:
Base-Base interactions energy: -107.804
where: short stacking energy: -53.654
Base-Backbone interact. energy: -0.456
local terms energy: -68.586119
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -8.758
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: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -190.762431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.762431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.762431 (E_RNA)
where:
Base-Base interactions energy: -116.351
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.065
local terms energy: -74.346231
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -184.185211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.185211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.185211 (E_RNA)
where:
Base-Base interactions energy: -117.565
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.359
local terms energy: -66.261022
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -106.128138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.128138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.128138 (E_RNA)
where:
Base-Base interactions energy: -46.647
where: short stacking energy: -37.800
Base-Backbone interact. energy: -1.367
local terms energy: -58.114261
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -99.019498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.019498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.019498 (E_RNA)
where:
Base-Base interactions energy: -42.285
where: short stacking energy: -37.842
Base-Backbone interact. energy: 1.576
local terms energy: -58.309649
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -7.026
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -8.555
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: 150
Temperature: 1.300000
Total energy: -93.744875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.744875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.744875 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -30.336
Base-Backbone interact. energy: 1.351
local terms energy: -60.237923
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -10.335
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: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -89.857707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.857707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.857707 (E_RNA)
where:
Base-Base interactions energy: -37.903
where: short stacking energy: -31.260
Base-Backbone interact. energy: -0.616
local terms energy: -51.338747
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -4.341
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: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -244.717384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.717384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.717384 (E_RNA)
where:
Base-Base interactions energy: -166.183
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.483
local terms energy: -78.051979
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -228.251463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.251463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.251463 (E_RNA)
where:
Base-Base interactions energy: -146.921
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.001
local terms energy: -81.329877
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -207.235158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.235158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.235158 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.468
local terms energy: -72.719269
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -199.300719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.300719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.300719 (E_RNA)
where:
Base-Base interactions energy: -125.222
where: short stacking energy: -75.691
Base-Backbone interact. energy: -0.202
local terms energy: -73.876669
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -170.658114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.658114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.658114 (E_RNA)
where:
Base-Base interactions energy: -102.993
where: short stacking energy: -51.518
Base-Backbone interact. energy: -0.268
local terms energy: -67.397714
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -178.045679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.045679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.045679 (E_RNA)
where:
Base-Base interactions energy: -111.056
where: short stacking energy: -56.077
Base-Backbone interact. energy: 0.008
local terms energy: -66.998269
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -97.333133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.333133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.333133 (E_RNA)
where:
Base-Base interactions energy: -43.348
where: short stacking energy: -41.555
Base-Backbone interact. energy: -0.420
local terms energy: -53.565628
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -8.413
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -93.302636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302636 (E_RNA)
where:
Base-Base interactions energy: -34.991
where: short stacking energy: -29.525
Base-Backbone interact. energy: 0.762
local terms energy: -59.073458
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -91.468014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.468014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.468014 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.077
local terms energy: -61.384613
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -85.726103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.726103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.726103 (E_RNA)
where:
Base-Base interactions energy: -29.222
where: short stacking energy: -19.785
Base-Backbone interact. energy: 2.972
local terms energy: -59.476289
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -227.356347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.356347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.356347 (E_RNA)
where:
Base-Base interactions energy: -149.231
where: short stacking energy: -85.773
Base-Backbone interact. energy: -0.450
local terms energy: -77.674652
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -260.018994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.018994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.018994 (E_RNA)
where:
Base-Base interactions energy: -183.957
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.979
local terms energy: -75.082828
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -8.079
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: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -210.498397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.498397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.498397 (E_RNA)
where:
Base-Base interactions energy: -135.993
where: short stacking energy: -68.851
Base-Backbone interact. energy: -0.006
local terms energy: -74.500263
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -7.975
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: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -197.308232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.308232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.308232 (E_RNA)
where:
Base-Base interactions energy: -128.730
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.155
local terms energy: -68.423609
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -179.515586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.515586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.515586 (E_RNA)
where:
Base-Base interactions energy: -102.296
where: short stacking energy: -51.417
Base-Backbone interact. energy: 1.526
local terms energy: -78.745134
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -202.034300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.034300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.034300 (E_RNA)
where:
Base-Base interactions energy: -133.873
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.719
local terms energy: -67.442051
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -8.423
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -97.690444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.690444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.690444 (E_RNA)
where:
Base-Base interactions energy: -43.061
where: short stacking energy: -37.655
Base-Backbone interact. energy: -0.015
local terms energy: -54.614741
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -5.176
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: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -93.448872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.448872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.448872 (E_RNA)
where:
Base-Base interactions energy: -41.411
where: short stacking energy: -38.326
Base-Backbone interact. energy: -0.181
local terms energy: -51.856823
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -102.939523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.939523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.939523 (E_RNA)
where:
Base-Base interactions energy: -40.629
where: short stacking energy: -30.328
Base-Backbone interact. energy: -0.886
local terms energy: -61.424142
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -84.196930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.196930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.196930 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -29.384
Base-Backbone interact. energy: 0.247
local terms energy: -55.059868
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -226.845774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.845774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.845774 (E_RNA)
where:
Base-Base interactions energy: -148.343
where: short stacking energy: -70.218
Base-Backbone interact. energy: -0.040
local terms energy: -78.462661
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -19.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -253.088790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.088790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.088790 (E_RNA)
where:
Base-Base interactions energy: -183.023
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.395
local terms energy: -69.671519
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -18.480
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: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -216.839020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.839020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.839020 (E_RNA)
where:
Base-Base interactions energy: -138.841
where: short stacking energy: -59.901
Base-Backbone interact. energy: -0.119
local terms energy: -77.879160
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -196.390997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.390997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.390997 (E_RNA)
where:
Base-Base interactions energy: -116.115
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.002
local terms energy: -80.274711
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -12.642
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: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -199.361204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.361204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.361204 (E_RNA)
where:
Base-Base interactions energy: -136.002
where: short stacking energy: -46.008
Base-Backbone interact. energy: -0.124
local terms energy: -63.235429
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -10.437
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: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -183.524536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.524536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.524536 (E_RNA)
where:
Base-Base interactions energy: -116.818
where: short stacking energy: -39.490
Base-Backbone interact. energy: -0.054
local terms energy: -66.652262
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -98.985689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.985689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.985689 (E_RNA)
where:
Base-Base interactions energy: -43.956
where: short stacking energy: -29.218
Base-Backbone interact. energy: -0.317
local terms energy: -54.712842
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -99.431647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.431647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.431647 (E_RNA)
where:
Base-Base interactions energy: -47.514
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.031
local terms energy: -51.886253
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -97.085836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.085836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.085836 (E_RNA)
where:
Base-Base interactions energy: -41.101
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.011
local terms energy: -55.973555
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -3.682
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: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -84.744483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.744483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.744483 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -32.161
Base-Backbone interact. energy: 0.325
local terms energy: -52.162288
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -263.041283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.041283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.041283 (E_RNA)
where:
Base-Base interactions energy: -182.413
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.150
local terms energy: -80.477920
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -221.534704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.534704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.534704 (E_RNA)
where:
Base-Base interactions energy: -136.713
where: short stacking energy: -69.923
Base-Backbone interact. energy: -0.197
local terms energy: -84.624416
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -21.468
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: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -206.163005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.163005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.163005 (E_RNA)
where:
Base-Base interactions energy: -128.738
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.464
local terms energy: -76.961132
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -194.607010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.607010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.607010 (E_RNA)
where:
Base-Base interactions energy: -121.647
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.431
local terms energy: -72.528789
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -204.516602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.516602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.516602 (E_RNA)
where:
Base-Base interactions energy: -143.736
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.601
local terms energy: -60.179444
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.834
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: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -187.183481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.183481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.183481 (E_RNA)
where:
Base-Base interactions energy: -126.873
where: short stacking energy: -52.110
Base-Backbone interact. energy: -0.511
local terms energy: -59.799709
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -106.930774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.930774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.930774 (E_RNA)
where:
Base-Base interactions energy: -48.733
where: short stacking energy: -43.213
Base-Backbone interact. energy: 0.905
local terms energy: -59.102673
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -95.391801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.391801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.391801 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -33.396
Base-Backbone interact. energy: -0.202
local terms energy: -54.888447
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -8.255
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: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -90.075124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.075124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.075124 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -30.526
Base-Backbone interact. energy: -0.157
local terms energy: -55.182427
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -81.935443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.935443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.935443 (E_RNA)
where:
Base-Base interactions energy: -31.844
where: short stacking energy: -27.990
Base-Backbone interact. energy: -0.415
local terms energy: -49.676515
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -259.015852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.015852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.015852 (E_RNA)
where:
Base-Base interactions energy: -185.138
where: short stacking energy: -68.778
Base-Backbone interact. energy: -1.013
local terms energy: -72.865373
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -211.470137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.470137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.470137 (E_RNA)
where:
Base-Base interactions energy: -134.008
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.105
local terms energy: -77.357521
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -12.661
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: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -217.771883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.771883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.771883 (E_RNA)
where:
Base-Base interactions energy: -135.135
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.682
local terms energy: -81.954556
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -23.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -190.105343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.105343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.105343 (E_RNA)
where:
Base-Base interactions energy: -112.610
where: short stacking energy: -62.180
Base-Backbone interact. energy: -0.013
local terms energy: -77.482428
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -192.487887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.487887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.487887 (E_RNA)
where:
Base-Base interactions energy: -123.260
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.702
local terms energy: -68.525819
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -181.035321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.035321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.035321 (E_RNA)
where:
Base-Base interactions energy: -108.776
where: short stacking energy: -59.627
Base-Backbone interact. energy: 0.456
local terms energy: -72.714995
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -93.087825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.087825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.087825 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -36.048
Base-Backbone interact. energy: -0.090
local terms energy: -52.026377
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -92.039449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.039449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.039449 (E_RNA)
where:
Base-Base interactions energy: -33.430
where: short stacking energy: -33.326
Base-Backbone interact. energy: 0.037
local terms energy: -58.646465
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -104.173660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.173660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.173660 (E_RNA)
where:
Base-Base interactions energy: -59.964
where: short stacking energy: -35.606
Base-Backbone interact. energy: 3.150
local terms energy: -47.359353
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -89.729959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.729959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.729959 (E_RNA)
where:
Base-Base interactions energy: -27.337
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.006
local terms energy: -62.386854
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -11.441
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: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -253.383399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.383399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.383399 (E_RNA)
where:
Base-Base interactions energy: -174.440
where: short stacking energy: -67.611
Base-Backbone interact. energy: 0.046
local terms energy: -78.988854
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -213.622126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.622126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.622126 (E_RNA)
where:
Base-Base interactions energy: -138.282
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.003
local terms energy: -75.337387
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -15.833
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: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -218.156573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.156573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.156573 (E_RNA)
where:
Base-Base interactions energy: -146.994
where: short stacking energy: -60.066
Base-Backbone interact. energy: -0.296
local terms energy: -70.866614
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -213.003307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.003307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.003307 (E_RNA)
where:
Base-Base interactions energy: -140.402
where: short stacking energy: -66.613
Base-Backbone interact. energy: -0.009
local terms energy: -72.592442
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -202.912005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.912005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.912005 (E_RNA)
where:
Base-Base interactions energy: -130.129
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.133
local terms energy: -72.649910
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -191.016822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.016822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.016822 (E_RNA)
where:
Base-Base interactions energy: -125.361
where: short stacking energy: -57.492
Base-Backbone interact. energy: -0.124
local terms energy: -65.531638
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -101.355991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.355991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.355991 (E_RNA)
where:
Base-Base interactions energy: -52.054
where: short stacking energy: -30.660
Base-Backbone interact. energy: 1.130
local terms energy: -50.431528
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -0.846
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: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -109.518021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.518021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.518021 (E_RNA)
where:
Base-Base interactions energy: -40.812
where: short stacking energy: -38.713
Base-Backbone interact. energy: -0.072
local terms energy: -68.634669
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -93.866296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.866296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.866296 (E_RNA)
where:
Base-Base interactions energy: -37.018
where: short stacking energy: -22.360
Base-Backbone interact. energy: -0.510
local terms energy: -56.338478
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -126.833822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.833822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.833822 (E_RNA)
where:
Base-Base interactions energy: -86.797
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.866
local terms energy: -39.171089
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -251.451581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.451581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.451581 (E_RNA)
where:
Base-Base interactions energy: -177.311
where: short stacking energy: -68.914
Base-Backbone interact. energy: 0.413
local terms energy: -74.554327
where:
bonds (distance) C4'-P energy: -8.027
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -222.818018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.818018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.818018 (E_RNA)
where:
Base-Base interactions energy: -154.396
where: short stacking energy: -75.668
Base-Backbone interact. energy: -0.034
local terms energy: -68.387486
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -218.875226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.875226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.875226 (E_RNA)
where:
Base-Base interactions energy: -141.168
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.242
local terms energy: -77.465984
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -17.440
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -207.263731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.263731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.263731 (E_RNA)
where:
Base-Base interactions energy: -139.126
where: short stacking energy: -57.096
Base-Backbone interact. energy: -0.439
local terms energy: -67.698367
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -14.462
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: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -205.595389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.595389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.595389 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.105
local terms energy: -74.555114
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -18.085
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: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -144.357892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.357892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.357892 (E_RNA)
where:
Base-Base interactions energy: -82.932
where: short stacking energy: -50.068
Base-Backbone interact. energy: 0.368
local terms energy: -61.793760
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -5.022
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: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -188.980844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.980844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.980844 (E_RNA)
where:
Base-Base interactions energy: -115.619
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.215
local terms energy: -73.146842
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.846
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: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -92.119409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.119409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.119409 (E_RNA)
where:
Base-Base interactions energy: -25.523
where: short stacking energy: -22.604
Base-Backbone interact. energy: -0.429
local terms energy: -66.167183
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -7.367
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: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -89.468931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468931 (E_RNA)
where:
Base-Base interactions energy: -43.762
where: short stacking energy: -29.090
Base-Backbone interact. energy: -0.291
local terms energy: -45.415498
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -2.826
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: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -85.966186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.966186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.966186 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.345
local terms energy: -46.226956
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -8.026
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -5.025
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -263.681305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.681305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.681305 (E_RNA)
where:
Base-Base interactions energy: -182.045
where: short stacking energy: -62.603
Base-Backbone interact. energy: -0.230
local terms energy: -81.406212
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -210.727624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.727624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.727624 (E_RNA)
where:
Base-Base interactions energy: -132.594
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.007
local terms energy: -78.127094
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -12.509
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: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -180.724246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.724246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.724246 (E_RNA)
where:
Base-Base interactions energy: -109.244
where: short stacking energy: -63.481
Base-Backbone interact. energy: -0.081
local terms energy: -71.399596
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -12.833
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: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -201.318656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.318656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.318656 (E_RNA)
where:
Base-Base interactions energy: -123.447
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.393
local terms energy: -77.479311
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -203.308077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.308077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.308077 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -54.609
Base-Backbone interact. energy: -0.330
local terms energy: -73.683665
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -144.758075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.758075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.758075 (E_RNA)
where:
Base-Base interactions energy: -84.505
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.576
local terms energy: -59.676385
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.567
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: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -182.567519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.567519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.567519 (E_RNA)
where:
Base-Base interactions energy: -106.275
where: short stacking energy: -56.936
Base-Backbone interact. energy: -0.733
local terms energy: -75.559451
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -98.504166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.504166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.504166 (E_RNA)
where:
Base-Base interactions energy: -46.774
where: short stacking energy: -46.774
Base-Backbone interact. energy: -0.005
local terms energy: -51.724530
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -91.010146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010146 (E_RNA)
where:
Base-Base interactions energy: -36.933
where: short stacking energy: -36.933
Base-Backbone interact. energy: -0.050
local terms energy: -54.027108
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -5.103
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: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -72.452204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.452204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.452204 (E_RNA)
where:
Base-Base interactions energy: -27.761
where: short stacking energy: -26.871
Base-Backbone interact. energy: -0.234
local terms energy: -44.456669
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -7.175
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: 3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -257.106328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.106328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.106328 (E_RNA)
where:
Base-Base interactions energy: -176.487
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.846
local terms energy: -79.772923
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -213.356923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.356923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.356923 (E_RNA)
where:
Base-Base interactions energy: -131.809
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.372
local terms energy: -81.176303
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -183.389110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.389110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.389110 (E_RNA)
where:
Base-Base interactions energy: -116.834
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.252
local terms energy: -66.302777
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -207.264233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.264233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.264233 (E_RNA)
where:
Base-Base interactions energy: -134.102
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.450
local terms energy: -72.712527
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -179.415659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.415659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.415659 (E_RNA)
where:
Base-Base interactions energy: -109.293
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.082
local terms energy: -70.040754
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.849
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: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -154.528845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.528845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.528845 (E_RNA)
where:
Base-Base interactions energy: -87.285
where: short stacking energy: -47.504
Base-Backbone interact. energy: 0.679
local terms energy: -67.923664
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -137.250056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.250056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.250056 (E_RNA)
where:
Base-Base interactions energy: -78.219
where: short stacking energy: -36.928
Base-Backbone interact. energy: -1.507
local terms energy: -57.524090
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -88.538332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.538332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.538332 (E_RNA)
where:
Base-Base interactions energy: -42.104
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.158
local terms energy: -46.275927
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -8.326
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: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -93.017505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.017505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.017505 (E_RNA)
where:
Base-Base interactions energy: -35.645
where: short stacking energy: -31.770
Base-Backbone interact. energy: 0.530
local terms energy: -57.902685
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -82.585899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.585899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.585899 (E_RNA)
where:
Base-Base interactions energy: -28.811
where: short stacking energy: -25.450
Base-Backbone interact. energy: -0.177
local terms energy: -53.597476
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -252.399053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.399053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.399053 (E_RNA)
where:
Base-Base interactions energy: -173.474
where: short stacking energy: -69.430
Base-Backbone interact. energy: 0.433
local terms energy: -79.357667
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -11.788
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: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -209.743132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.743132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.743132 (E_RNA)
where:
Base-Base interactions energy: -124.859
where: short stacking energy: -70.468
Base-Backbone interact. energy: -0.001
local terms energy: -84.883816
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -15.299
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: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -221.875967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.875967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.875967 (E_RNA)
where:
Base-Base interactions energy: -143.441
where: short stacking energy: -57.414
Base-Backbone interact. energy: -0.280
local terms energy: -78.154652
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -198.783417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.783417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.783417 (E_RNA)
where:
Base-Base interactions energy: -119.882
where: short stacking energy: -64.097
Base-Backbone interact. energy: 0.587
local terms energy: -79.488867
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -176.521282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.521282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.521282 (E_RNA)
where:
Base-Base interactions energy: -109.582
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.083
local terms energy: -66.855840
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -181.528315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.528315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.528315 (E_RNA)
where:
Base-Base interactions energy: -110.214
where: short stacking energy: -64.391
Base-Backbone interact. energy: -0.008
local terms energy: -71.305861
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -9.323
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: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -103.648636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.648636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.648636 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -37.707
Base-Backbone interact. energy: -0.151
local terms energy: -65.790496
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -110.258758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.258758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.258758 (E_RNA)
where:
Base-Base interactions energy: -59.072
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.557
local terms energy: -50.630035
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -87.771434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.771434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.771434 (E_RNA)
where:
Base-Base interactions energy: -29.258
where: short stacking energy: -29.258
Base-Backbone interact. energy: -0.007
local terms energy: -58.506258
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -5.096
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -95.719412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.719412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.719412 (E_RNA)
where:
Base-Base interactions energy: -44.916
where: short stacking energy: -40.964
Base-Backbone interact. energy: -0.191
local terms energy: -50.612385
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -251.876353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.876353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.876353 (E_RNA)
where:
Base-Base interactions energy: -169.247
where: short stacking energy: -71.265
Base-Backbone interact. energy: -0.134
local terms energy: -82.495034
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -217.620181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.620181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.620181 (E_RNA)
where:
Base-Base interactions energy: -147.850
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.091
local terms energy: -69.679203
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -213.517856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.517856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.517856 (E_RNA)
where:
Base-Base interactions energy: -141.447
where: short stacking energy: -72.207
Base-Backbone interact. energy: -0.130
local terms energy: -71.940662
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -194.922705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.922705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.922705 (E_RNA)
where:
Base-Base interactions energy: -125.276
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.016
local terms energy: -69.630331
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -172.116232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.116232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.116232 (E_RNA)
where:
Base-Base interactions energy: -109.276
where: short stacking energy: -55.545
Base-Backbone interact. energy: -0.155
local terms energy: -62.684996
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -8.536
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: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -183.016777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.016777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.016777 (E_RNA)
where:
Base-Base interactions energy: -115.955
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.059
local terms energy: -67.002353
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -10.985
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: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -95.286166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.286166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.286166 (E_RNA)
where:
Base-Base interactions energy: -33.311
where: short stacking energy: -33.280
Base-Backbone interact. energy: -0.250
local terms energy: -61.724557
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -90.850880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.850880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.850880 (E_RNA)
where:
Base-Base interactions energy: -39.174
where: short stacking energy: -34.341
Base-Backbone interact. energy: -0.632
local terms energy: -51.044520
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -0.297
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: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -82.487646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.487646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.487646 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -29.238
Base-Backbone interact. energy: 0.670
local terms energy: -54.408839
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -84.072925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.072925 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -31.402
Base-Backbone interact. energy: 0.082
local terms energy: -46.692388
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -258.104614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.104614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.104614 (E_RNA)
where:
Base-Base interactions energy: -190.150
where: short stacking energy: -69.481
Base-Backbone interact. energy: -0.128
local terms energy: -67.827055
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -219.613577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.613577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613577 (E_RNA)
where:
Base-Base interactions energy: -145.001
where: short stacking energy: -63.499
Base-Backbone interact. energy: 0.197
local terms energy: -74.809959
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -12.220
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: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -211.380414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.380414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.380414 (E_RNA)
where:
Base-Base interactions energy: -136.991
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.170
local terms energy: -74.219726
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.377
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: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -205.252578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.252578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.252578 (E_RNA)
where:
Base-Base interactions energy: -126.892
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.005
local terms energy: -78.355718
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -206.988249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.988249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.988249 (E_RNA)
where:
Base-Base interactions energy: -139.064
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.308
local terms energy: -67.616562
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -3.767
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: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -197.225728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.225728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.225728 (E_RNA)
where:
Base-Base interactions energy: -130.725
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.134
local terms energy: -66.366310
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -11.532
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: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -83.712299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.712299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.712299 (E_RNA)
where:
Base-Base interactions energy: -30.443
where: short stacking energy: -28.620
Base-Backbone interact. energy: -0.028
local terms energy: -53.240442
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -87.392754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.392754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.392754 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.155
local terms energy: -56.174758
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -86.304256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.304256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.304256 (E_RNA)
where:
Base-Base interactions energy: -43.754
where: short stacking energy: -32.425
Base-Backbone interact. energy: 3.881
local terms energy: -46.431519
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: 0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -85.637852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.637852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.637852 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -33.650
Base-Backbone interact. energy: -0.094
local terms energy: -50.430248
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -266.245504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.245504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.245504 (E_RNA)
where:
Base-Base interactions energy: -191.709
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.424
local terms energy: -74.113023
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -206.616694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.616694 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -57.384
Base-Backbone interact. energy: -1.081
local terms energy: -75.456063
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -223.132214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.132214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.132214 (E_RNA)
where:
Base-Base interactions energy: -150.267
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.051
local terms energy: -72.814428
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -203.673208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.673208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.673208 (E_RNA)
where:
Base-Base interactions energy: -131.371
where: short stacking energy: -51.891
Base-Backbone interact. energy: -0.080
local terms energy: -72.222020
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -192.416217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.416217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.416217 (E_RNA)
where:
Base-Base interactions energy: -128.462
where: short stacking energy: -52.712
Base-Backbone interact. energy: -0.046
local terms energy: -63.907603
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -180.939694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.939694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.939694 (E_RNA)
where:
Base-Base interactions energy: -109.734
where: short stacking energy: -51.622
Base-Backbone interact. energy: -0.317
local terms energy: -70.888814
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.688
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: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -94.136945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.136945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.136945 (E_RNA)
where:
Base-Base interactions energy: -43.461
where: short stacking energy: -41.578
Base-Backbone interact. energy: 0.404
local terms energy: -51.080333
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -0.457
tors. eta vs tors. theta energy: -10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -109.473390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.473390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.473390 (E_RNA)
where:
Base-Base interactions energy: -54.630
where: short stacking energy: -44.978
Base-Backbone interact. energy: -0.400
local terms energy: -54.443824
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -7.193
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: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -88.815175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.815175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.815175 (E_RNA)
where:
Base-Base interactions energy: -32.613
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.154
local terms energy: -56.047739
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -86.178118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.178118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.178118 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -31.220
Base-Backbone interact. energy: -0.213
local terms energy: -53.268432
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -264.421832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.421832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.421832 (E_RNA)
where:
Base-Base interactions energy: -198.196
where: short stacking energy: -61.334
Base-Backbone interact. energy: 1.447
local terms energy: -67.672880
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -207.853634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.853634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.853634 (E_RNA)
where:
Base-Base interactions energy: -134.240
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.106
local terms energy: -73.507691
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -221.906916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.906916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.906916 (E_RNA)
where:
Base-Base interactions energy: -150.681
where: short stacking energy: -70.669
Base-Backbone interact. energy: -0.128
local terms energy: -71.098159
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -189.610974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.610974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.610974 (E_RNA)
where:
Base-Base interactions energy: -118.969
where: short stacking energy: -48.869
Base-Backbone interact. energy: -0.061
local terms energy: -70.580278
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -193.101848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.101848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.101848 (E_RNA)
where:
Base-Base interactions energy: -123.946
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.246
local terms energy: -68.910244
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -178.992367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.992367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.992367 (E_RNA)
where:
Base-Base interactions energy: -113.892
where: short stacking energy: -50.785
Base-Backbone interact. energy: -0.528
local terms energy: -64.572912
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -101.667303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.667303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.667303 (E_RNA)
where:
Base-Base interactions energy: -42.039
where: short stacking energy: -39.520
Base-Backbone interact. energy: -0.236
local terms energy: -59.392300
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.951
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: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -108.938227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.938227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.938227 (E_RNA)
where:
Base-Base interactions energy: -40.510
where: short stacking energy: -40.610
Base-Backbone interact. energy: -0.173
local terms energy: -68.256008
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -12.484
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: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -90.048942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.048942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.048942 (E_RNA)
where:
Base-Base interactions energy: -35.599
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.682
local terms energy: -53.767411
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -80.760690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.760690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.760690 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -28.800
Base-Backbone interact. energy: 3.078
local terms energy: -48.324150
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -256.597397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.597397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.597397 (E_RNA)
where:
Base-Base interactions energy: -183.778
where: short stacking energy: -64.765
Base-Backbone interact. energy: -1.261
local terms energy: -71.558410
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -217.349356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.349356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.349356 (E_RNA)
where:
Base-Base interactions energy: -142.261
where: short stacking energy: -58.527
Base-Backbone interact. energy: -0.026
local terms energy: -75.063045
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -218.753588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.753588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.753588 (E_RNA)
where:
Base-Base interactions energy: -141.542
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.189
local terms energy: -77.022489
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -188.963989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.963989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.963989 (E_RNA)
where:
Base-Base interactions energy: -116.017
where: short stacking energy: -61.396
Base-Backbone interact. energy: -0.199
local terms energy: -72.748034
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -192.467147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.467147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467147 (E_RNA)
where:
Base-Base interactions energy: -126.671
where: short stacking energy: -53.482
Base-Backbone interact. energy: -0.019
local terms energy: -65.778079
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -195.454661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.454661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.454661 (E_RNA)
where:
Base-Base interactions energy: -121.009
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.096
local terms energy: -74.349543
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -101.059546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.059546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.059546 (E_RNA)
where:
Base-Base interactions energy: -45.419
where: short stacking energy: -42.602
Base-Backbone interact. energy: -0.062
local terms energy: -55.578773
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -6.165
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: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -86.399488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.399488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.399488 (E_RNA)
where:
Base-Base interactions energy: -29.116
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.045
local terms energy: -57.238023
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.862
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: 9, replica: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -94.303374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.303374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.303374 (E_RNA)
where:
Base-Base interactions energy: -35.752
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.123
local terms energy: -58.428719
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -86.884219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884219 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.436
local terms energy: -50.733024
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -13.425
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: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -258.358800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.358800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.358800 (E_RNA)
where:
Base-Base interactions energy: -185.299
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.281
local terms energy: -72.778595
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -202.761587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.761587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.761587 (E_RNA)
where:
Base-Base interactions energy: -135.455
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.472
local terms energy: -66.833940
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -220.266262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.266262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.266262 (E_RNA)
where:
Base-Base interactions energy: -142.105
where: short stacking energy: -69.759
Base-Backbone interact. energy: -0.001
local terms energy: -78.160606
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -20.328
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: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -206.302876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.302876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.302876 (E_RNA)
where:
Base-Base interactions energy: -128.111
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.225
local terms energy: -77.966252
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -194.959147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.959147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.959147 (E_RNA)
where:
Base-Base interactions energy: -127.141
where: short stacking energy: -59.564
Base-Backbone interact. energy: -0.028
local terms energy: -67.789989
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -178.534988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.534988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.534988 (E_RNA)
where:
Base-Base interactions energy: -110.366
where: short stacking energy: -57.401
Base-Backbone interact. energy: 1.051
local terms energy: -69.220509
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -7.559
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: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -92.733236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.733236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.733236 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -34.056
Base-Backbone interact. energy: -1.345
local terms energy: -53.383847
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -1.332
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: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -102.769879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.769879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.769879 (E_RNA)
where:
Base-Base interactions energy: -37.935
where: short stacking energy: -35.034
Base-Backbone interact. energy: 1.490
local terms energy: -66.324740
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -6.250
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: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -81.903738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.903738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.903738 (E_RNA)
where:
Base-Base interactions energy: -27.269
where: short stacking energy: -26.282
Base-Backbone interact. energy: 1.017
local terms energy: -55.651255
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -87.047393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.047393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.047393 (E_RNA)
where:
Base-Base interactions energy: -31.260
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.607
local terms energy: -55.180515
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -260.863293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.863293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.863293 (E_RNA)
where:
Base-Base interactions energy: -181.811
where: short stacking energy: -73.037
Base-Backbone interact. energy: -0.528
local terms energy: -78.524723
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -226.031217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.031217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.031217 (E_RNA)
where:
Base-Base interactions energy: -148.256
where: short stacking energy: -68.883
Base-Backbone interact. energy: -0.359
local terms energy: -77.415526
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -214.028940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.028940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028940 (E_RNA)
where:
Base-Base interactions energy: -137.100
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.033
local terms energy: -76.895851
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -198.323621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.323621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.323621 (E_RNA)
where:
Base-Base interactions energy: -121.810
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.101
local terms energy: -76.412749
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -200.056688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.056688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.056688 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.233
local terms energy: -63.936958
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -187.010582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.010582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.010582 (E_RNA)
where:
Base-Base interactions energy: -111.105
where: short stacking energy: -52.956
Base-Backbone interact. energy: -0.202
local terms energy: -75.703597
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -16.971
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: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -102.310757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.310757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.310757 (E_RNA)
where:
Base-Base interactions energy: -44.060
where: short stacking energy: -25.394
Base-Backbone interact. energy: -0.101
local terms energy: -58.149347
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -11.543
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: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -95.769698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.769698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.769698 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -33.406
Base-Backbone interact. energy: -1.313
local terms energy: -57.744133
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -85.502951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.502951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.502951 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.121
local terms energy: -47.436867
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -85.477211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.477211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.477211 (E_RNA)
where:
Base-Base interactions energy: -34.257
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.538
local terms energy: -50.682448
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.629
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: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -262.360726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.360726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.360726 (E_RNA)
where:
Base-Base interactions energy: -189.174
where: short stacking energy: -57.659
Base-Backbone interact. energy: -1.005
local terms energy: -72.182123
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -225.876252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.876252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.876252 (E_RNA)
where:
Base-Base interactions energy: -146.628
where: short stacking energy: -66.846
Base-Backbone interact. energy: -0.071
local terms energy: -79.177149
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -209.351863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.351863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.351863 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.408
local terms energy: -74.398605
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -177.735059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.735059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.735059 (E_RNA)
where:
Base-Base interactions energy: -104.736
where: short stacking energy: -50.524
Base-Backbone interact. energy: 0.261
local terms energy: -73.260437
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -12.710
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: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -187.076624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.076624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.076624 (E_RNA)
where:
Base-Base interactions energy: -120.201
where: short stacking energy: -61.268
Base-Backbone interact. energy: -1.296
local terms energy: -65.579167
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -182.388168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.388168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.388168 (E_RNA)
where:
Base-Base interactions energy: -118.507
where: short stacking energy: -47.491
Base-Backbone interact. energy: -0.386
local terms energy: -63.495472
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -10.724
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: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -102.556692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.556692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.556692 (E_RNA)
where:
Base-Base interactions energy: -48.026
where: short stacking energy: -38.740
Base-Backbone interact. energy: 1.097
local terms energy: -55.627395
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -8.226
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: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -107.252427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.252427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.252427 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.147
local terms energy: -67.236171
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -83.856423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.856423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.856423 (E_RNA)
where:
Base-Base interactions energy: -26.316
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.152
local terms energy: -57.388526
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: 0.518
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: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -83.038763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038763 (E_RNA)
where:
Base-Base interactions energy: -22.294
where: short stacking energy: -20.600
Base-Backbone interact. energy: 0.254
local terms energy: -60.998050
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: 0.803
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: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -264.863092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.863092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.863092 (E_RNA)
where:
Base-Base interactions energy: -190.868
where: short stacking energy: -61.944
Base-Backbone interact. energy: -1.388
local terms energy: -72.607757
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -12.488
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: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -216.029920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.029920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.029920 (E_RNA)
where:
Base-Base interactions energy: -137.644
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.045
local terms energy: -78.341205
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -195.651098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.651098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.651098 (E_RNA)
where:
Base-Base interactions energy: -127.713
where: short stacking energy: -71.281
Base-Backbone interact. energy: 0.437
local terms energy: -68.374747
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -194.576591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.576591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.576591 (E_RNA)
where:
Base-Base interactions energy: -123.762
where: short stacking energy: -65.225
Base-Backbone interact. energy: -0.040
local terms energy: -70.774064
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -174.591661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.591661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.591661 (E_RNA)
where:
Base-Base interactions energy: -107.242
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.461
local terms energy: -66.889400
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -168.141238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.141238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.141238 (E_RNA)
where:
Base-Base interactions energy: -108.925
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.068
local terms energy: -59.148448
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -87.044765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.044765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.044765 (E_RNA)
where:
Base-Base interactions energy: -32.693
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.474
local terms energy: -53.878442
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -88.470458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.470458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.470458 (E_RNA)
where:
Base-Base interactions energy: -38.472
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.106
local terms energy: -49.892521
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: 0.195
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -109.758121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.758121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.758121 (E_RNA)
where:
Base-Base interactions energy: -55.730
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.236
local terms energy: -53.792193
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -7.081
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: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -88.632540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.632540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.632540 (E_RNA)
where:
Base-Base interactions energy: -38.309
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.251
local terms energy: -50.072233
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -4.925
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -3.445
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -262.897747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.897747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.897747 (E_RNA)
where:
Base-Base interactions energy: -180.941
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.968
local terms energy: -80.989581
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -218.632495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632495 (E_RNA)
where:
Base-Base interactions energy: -133.072
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.004
local terms energy: -85.557151
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -200.167404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.167404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.167404 (E_RNA)
where:
Base-Base interactions energy: -127.482
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.197
local terms energy: -72.488810
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -12.652
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: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -184.320242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.320242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.320242 (E_RNA)
where:
Base-Base interactions energy: -115.177
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.222
local terms energy: -68.920771
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -185.304395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.304395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.304395 (E_RNA)
where:
Base-Base interactions energy: -114.407
where: short stacking energy: -56.561
Base-Backbone interact. energy: 0.542
local terms energy: -71.439215
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -173.736497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.736497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.736497 (E_RNA)
where:
Base-Base interactions energy: -113.126
where: short stacking energy: -63.193
Base-Backbone interact. energy: 1.907
local terms energy: -62.517368
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -16.261
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: 170
Temperature: 1.200000
Total energy: -98.400595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.400595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.400595 (E_RNA)
where:
Base-Base interactions energy: -56.771
where: short stacking energy: -27.277
Base-Backbone interact. energy: -0.860
local terms energy: -40.769930
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: 3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -98.778830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.778830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.778830 (E_RNA)
where:
Base-Base interactions energy: -38.657
where: short stacking energy: -39.515
Base-Backbone interact. energy: -0.574
local terms energy: -59.547737
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -97.296402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.296402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.296402 (E_RNA)
where:
Base-Base interactions energy: -40.791
where: short stacking energy: -38.125
Base-Backbone interact. energy: 0.936
local terms energy: -57.441931
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -90.616947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.616947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.616947 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -38.823
Base-Backbone interact. energy: -0.100
local terms energy: -51.694275
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -13.174
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: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -270.657210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.657210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.657210 (E_RNA)
where:
Base-Base interactions energy: -194.908
where: short stacking energy: -63.381
Base-Backbone interact. energy: -1.552
local terms energy: -74.197165
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -221.100363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.100363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.100363 (E_RNA)
where:
Base-Base interactions energy: -136.550
where: short stacking energy: -62.191
Base-Backbone interact. energy: -0.017
local terms energy: -84.533471
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -207.120500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.120500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.120500 (E_RNA)
where:
Base-Base interactions energy: -134.602
where: short stacking energy: -60.290
Base-Backbone interact. energy: 1.946
local terms energy: -74.464697
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -204.850775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.850775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.850775 (E_RNA)
where:
Base-Base interactions energy: -136.263
where: short stacking energy: -58.322
Base-Backbone interact. energy: -1.085
local terms energy: -67.502106
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -198.520185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.520185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.520185 (E_RNA)
where:
Base-Base interactions energy: -124.033
where: short stacking energy: -57.938
Base-Backbone interact. energy: -0.057
local terms energy: -74.429483
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.908
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: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -169.733919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.733919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.733919 (E_RNA)
where:
Base-Base interactions energy: -108.752
where: short stacking energy: -53.187
Base-Backbone interact. energy: 0.702
local terms energy: -61.683840
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -10.747
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: 171
Temperature: 1.200000
Total energy: -108.265137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.265137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.265137 (E_RNA)
where:
Base-Base interactions energy: -47.330
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.326
local terms energy: -60.608951
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -87.729974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729974 (E_RNA)
where:
Base-Base interactions energy: -38.643
where: short stacking energy: -30.869
Base-Backbone interact. energy: -0.033
local terms energy: -49.053886
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -80.126300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.126300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.126300 (E_RNA)
where:
Base-Base interactions energy: -35.734
where: short stacking energy: -14.643
Base-Backbone interact. energy: -0.351
local terms energy: -44.040847
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -7.887
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: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -76.570366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.570366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.570366 (E_RNA)
where:
Base-Base interactions energy: -32.729
where: short stacking energy: -14.414
Base-Backbone interact. energy: -0.027
local terms energy: -43.814845
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -5.820
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: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -271.069938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.069938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.069938 (E_RNA)
where:
Base-Base interactions energy: -196.489
where: short stacking energy: -61.284
Base-Backbone interact. energy: 0.374
local terms energy: -74.955170
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -215.146608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.146608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.146608 (E_RNA)
where:
Base-Base interactions energy: -133.500
where: short stacking energy: -67.806
Base-Backbone interact. energy: -0.001
local terms energy: -81.645902
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -20.599
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -210.105699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.105699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.105699 (E_RNA)
where:
Base-Base interactions energy: -129.149
where: short stacking energy: -53.399
Base-Backbone interact. energy: -0.685
local terms energy: -80.270829
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -202.713038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.713038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.713038 (E_RNA)
where:
Base-Base interactions energy: -120.926
where: short stacking energy: -65.907
Base-Backbone interact. energy: 0.677
local terms energy: -82.464577
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.492
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: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -199.248811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.248811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.248811 (E_RNA)
where:
Base-Base interactions energy: -132.211
where: short stacking energy: -49.720
Base-Backbone interact. energy: -0.200
local terms energy: -66.837637
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.999
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: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -176.902015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.902015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.902015 (E_RNA)
where:
Base-Base interactions energy: -105.830
where: short stacking energy: -60.563
Base-Backbone interact. energy: 2.659
local terms energy: -73.731596
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -117.982400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.982400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.982400 (E_RNA)
where:
Base-Base interactions energy: -56.889
where: short stacking energy: -44.125
Base-Backbone interact. energy: -0.026
local terms energy: -61.068063
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -11.093
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: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -96.495170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.495170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.495170 (E_RNA)
where:
Base-Base interactions energy: -43.823
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.167
local terms energy: -52.505262
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -96.534599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.534599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.534599 (E_RNA)
where:
Base-Base interactions energy: -40.000
where: short stacking energy: -39.509
Base-Backbone interact. energy: -0.077
local terms energy: -56.458046
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -4.057
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: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -80.407797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.407797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.407797 (E_RNA)
where:
Base-Base interactions energy: -26.333
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.894
local terms energy: -53.180639
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -269.535931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.535931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.535931 (E_RNA)
where:
Base-Base interactions energy: -191.358
where: short stacking energy: -59.258
Base-Backbone interact. energy: -1.279
local terms energy: -76.899281
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -213.350163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.350163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.350163 (E_RNA)
where:
Base-Base interactions energy: -134.011
where: short stacking energy: -74.152
Base-Backbone interact. energy: -0.009
local terms energy: -79.330928
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -210.583556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.583556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.583556 (E_RNA)
where:
Base-Base interactions energy: -130.225
where: short stacking energy: -63.528
Base-Backbone interact. energy: 0.752
local terms energy: -81.110140
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -216.234991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.234991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.234991 (E_RNA)
where:
Base-Base interactions energy: -141.612
where: short stacking energy: -61.480
Base-Backbone interact. energy: -0.213
local terms energy: -74.410226
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -11.322
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: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -180.768580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.768580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.768580 (E_RNA)
where:
Base-Base interactions energy: -107.586
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.110
local terms energy: -73.071835
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -182.757882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.757882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.757882 (E_RNA)
where:
Base-Base interactions energy: -108.461
where: short stacking energy: -51.980
Base-Backbone interact. energy: -0.154
local terms energy: -74.142781
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -95.961017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.961017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.961017 (E_RNA)
where:
Base-Base interactions energy: -29.411
where: short stacking energy: -29.411
Base-Backbone interact. energy: -0.038
local terms energy: -66.511879
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -3.857
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: 173
Temperature: 1.250000
Total energy: -92.938120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.938120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.938120 (E_RNA)
where:
Base-Base interactions energy: -37.908
where: short stacking energy: -28.741
Base-Backbone interact. energy: -0.144
local terms energy: -54.885860
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -100.010934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.010934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.010934 (E_RNA)
where:
Base-Base interactions energy: -50.210
where: short stacking energy: -47.518
Base-Backbone interact. energy: -0.042
local terms energy: -49.758704
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -5.884
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: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -89.420695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.420695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.420695 (E_RNA)
where:
Base-Base interactions energy: -43.015
where: short stacking energy: -26.231
Base-Backbone interact. energy: -0.039
local terms energy: -46.366873
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -218.916991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.916991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.916991 (E_RNA)
where:
Base-Base interactions energy: -137.392
where: short stacking energy: -71.489
Base-Backbone interact. energy: 0.732
local terms energy: -82.256575
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -262.591861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.591861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.591861 (E_RNA)
where:
Base-Base interactions energy: -186.440
where: short stacking energy: -62.545
Base-Backbone interact. energy: -1.453
local terms energy: -74.699116
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -205.411712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.411712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.411712 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.902
local terms energy: -72.146626
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -185.099884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.099884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.099884 (E_RNA)
where:
Base-Base interactions energy: -111.719
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.053
local terms energy: -73.328458
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.409
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: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -183.203458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.203458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.203458 (E_RNA)
where:
Base-Base interactions energy: -108.441
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.003
local terms energy: -74.759387
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -183.015376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.015376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.015376 (E_RNA)
where:
Base-Base interactions energy: -109.392
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.011
local terms energy: -73.611762
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.146
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: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -100.668656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.668656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.668656 (E_RNA)
where:
Base-Base interactions energy: -41.605
where: short stacking energy: -37.603
Base-Backbone interact. energy: 0.326
local terms energy: -59.389680
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -7.206
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: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -93.582679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.582679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.582679 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -28.553
Base-Backbone interact. energy: 0.364
local terms energy: -61.166572
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -95.119182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.119182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.119182 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -33.775
Base-Backbone interact. energy: -1.911
local terms energy: -58.338534
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -81.551989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.551989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.551989 (E_RNA)
where:
Base-Base interactions energy: -25.135
where: short stacking energy: -25.135
Base-Backbone interact. energy: -0.108
local terms energy: -56.308675
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -219.862539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.862539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.862539 (E_RNA)
where:
Base-Base interactions energy: -133.049
where: short stacking energy: -71.795
Base-Backbone interact. energy: -0.051
local terms energy: -86.762805
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -251.022086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.022086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.022086 (E_RNA)
where:
Base-Base interactions energy: -178.539
where: short stacking energy: -59.145
Base-Backbone interact. energy: -0.692
local terms energy: -71.790297
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -205.626467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.626467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.626467 (E_RNA)
where:
Base-Base interactions energy: -135.896
where: short stacking energy: -61.829
Base-Backbone interact. energy: -0.016
local terms energy: -69.714037
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -194.931487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.931487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.931487 (E_RNA)
where:
Base-Base interactions energy: -120.462
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.003
local terms energy: -74.466507
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -7.639
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: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -172.912731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.912731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.912731 (E_RNA)
where:
Base-Base interactions energy: -108.815
where: short stacking energy: -53.355
Base-Backbone interact. energy: -0.016
local terms energy: -64.082099
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -12.675
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: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -164.625291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.625291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.625291 (E_RNA)
where:
Base-Base interactions energy: -102.367
where: short stacking energy: -57.094
Base-Backbone interact. energy: -0.112
local terms energy: -62.147137
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -117.788603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.788603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.788603 (E_RNA)
where:
Base-Base interactions energy: -66.334
where: short stacking energy: -32.730
Base-Backbone interact. energy: 1.600
local terms energy: -53.054783
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -7.457
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: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -89.865356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.865356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.865356 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -35.340
Base-Backbone interact. energy: -0.064
local terms energy: -53.959962
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -8.313
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -88.898318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.898318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.898318 (E_RNA)
where:
Base-Base interactions energy: -34.137
where: short stacking energy: -26.717
Base-Backbone interact. energy: 0.183
local terms energy: -54.944117
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -9.038
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -79.041482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.041482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.041482 (E_RNA)
where:
Base-Base interactions energy: -27.801
where: short stacking energy: -28.901
Base-Backbone interact. energy: -0.085
local terms energy: -51.155519
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -260.484857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.484857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.484857 (E_RNA)
where:
Base-Base interactions energy: -184.154
where: short stacking energy: -68.146
Base-Backbone interact. energy: -0.060
local terms energy: -76.270633
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.919
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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -214.541604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.541604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.541604 (E_RNA)
where:
Base-Base interactions energy: -136.628
where: short stacking energy: -78.832
Base-Backbone interact. energy: -0.009
local terms energy: -77.904774
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -197.347119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.347119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.347119 (E_RNA)
where:
Base-Base interactions energy: -128.606
where: short stacking energy: -67.645
Base-Backbone interact. energy: -0.131
local terms energy: -68.609607
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -201.471937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.471937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.471937 (E_RNA)
where:
Base-Base interactions energy: -128.934
where: short stacking energy: -60.030
Base-Backbone interact. energy: 0.149
local terms energy: -72.687084
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -202.957431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957431 (E_RNA)
where:
Base-Base interactions energy: -133.699
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.010
local terms energy: -69.248541
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -8.659
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: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -166.465770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.465770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.465770 (E_RNA)
where:
Base-Base interactions energy: -98.828
where: short stacking energy: -69.371
Base-Backbone interact. energy: -0.581
local terms energy: -67.056279
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -7.284
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: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -102.684528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.684528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.684528 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -33.054
Base-Backbone interact. energy: -0.235
local terms energy: -62.779897
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -9.729
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: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -99.939778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.939778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.939778 (E_RNA)
where:
Base-Base interactions energy: -45.045
where: short stacking energy: -40.715
Base-Backbone interact. energy: -0.123
local terms energy: -54.771259
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -7.064
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: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -89.898237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.898237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.898237 (E_RNA)
where:
Base-Base interactions energy: -39.132
where: short stacking energy: -32.483
Base-Backbone interact. energy: -0.164
local terms energy: -50.602372
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -5.075
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: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -86.595387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.595387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.595387 (E_RNA)
where:
Base-Base interactions energy: -30.958
where: short stacking energy: -24.168
Base-Backbone interact. energy: 0.354
local terms energy: -55.991562
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -263.351599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.351599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.351599 (E_RNA)
where:
Base-Base interactions energy: -195.661
where: short stacking energy: -64.420
Base-Backbone interact. energy: -1.099
local terms energy: -66.591625
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -213.729469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.729469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.729469 (E_RNA)
where:
Base-Base interactions energy: -135.759
where: short stacking energy: -59.577
Base-Backbone interact. energy: -0.071
local terms energy: -77.899627
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -201.716835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.716835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.716835 (E_RNA)
where:
Base-Base interactions energy: -132.252
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.154
local terms energy: -69.310394
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -192.953962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.953962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.953962 (E_RNA)
where:
Base-Base interactions energy: -123.581
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.273
local terms energy: -69.099791
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -197.595324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.595324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.595324 (E_RNA)
where:
Base-Base interactions energy: -131.400
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.070
local terms energy: -66.125362
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -175.985516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.985516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.985516 (E_RNA)
where:
Base-Base interactions energy: -111.397
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.032
local terms energy: -64.556178
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -98.515559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.515559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.515559 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -35.962
Base-Backbone interact. energy: -0.202
local terms energy: -61.013498
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.046
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: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -93.895448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.895448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.895448 (E_RNA)
where:
Base-Base interactions energy: -34.604
where: short stacking energy: -34.782
Base-Backbone interact. energy: 2.081
local terms energy: -61.372229
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -5.129
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: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -90.132832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.132832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.132832 (E_RNA)
where:
Base-Base interactions energy: -43.770
where: short stacking energy: -29.894
Base-Backbone interact. energy: -0.435
local terms energy: -45.927729
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -83.586768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.586768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.586768 (E_RNA)
where:
Base-Base interactions energy: -34.983
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.095
local terms energy: -48.508664
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -227.360701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.360701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.360701 (E_RNA)
where:
Base-Base interactions energy: -143.534
where: short stacking energy: -77.846
Base-Backbone interact. energy: -0.004
local terms energy: -83.823130
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -246.865911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.865911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.865911 (E_RNA)
where:
Base-Base interactions energy: -167.716
where: short stacking energy: -67.172
Base-Backbone interact. energy: 1.308
local terms energy: -80.457971
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -207.072448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.072448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.072448 (E_RNA)
where:
Base-Base interactions energy: -132.030
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.587
local terms energy: -74.454702
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -202.565976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.565976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.565976 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.186
local terms energy: -76.557044
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -181.244627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.244627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.244627 (E_RNA)
where:
Base-Base interactions energy: -107.852
where: short stacking energy: -53.393
Base-Backbone interact. energy: -0.992
local terms energy: -72.401117
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -11.781
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: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -184.841376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.841376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.841376 (E_RNA)
where:
Base-Base interactions energy: -111.899
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.182
local terms energy: -72.760666
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -98.446768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.446768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.446768 (E_RNA)
where:
Base-Base interactions energy: -34.728
where: short stacking energy: -33.771
Base-Backbone interact. energy: -0.056
local terms energy: -63.663184
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -100.674850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.674850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.674850 (E_RNA)
where:
Base-Base interactions energy: -46.848
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.225
local terms energy: -53.601595
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: 0.789
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: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -81.659862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.659862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.659862 (E_RNA)
where:
Base-Base interactions energy: -39.483
where: short stacking energy: -28.305
Base-Backbone interact. energy: -1.602
local terms energy: -40.574872
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -4.348
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -89.273928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273928 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -37.415
Base-Backbone interact. energy: -0.237
local terms energy: -51.276949
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -224.767037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.767037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.767037 (E_RNA)
where:
Base-Base interactions energy: -145.385
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.023
local terms energy: -79.359376
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -259.229548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.229548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.229548 (E_RNA)
where:
Base-Base interactions energy: -189.161
where: short stacking energy: -60.406
Base-Backbone interact. energy: -0.137
local terms energy: -69.931572
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -15.630
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: 179
Temperature: 1.000000
Total energy: -209.615561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.615561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.615561 (E_RNA)
where:
Base-Base interactions energy: -145.034
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.072
local terms energy: -64.509457
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -16.560
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: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -203.042232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.042232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.042232 (E_RNA)
where:
Base-Base interactions energy: -123.698
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.056
local terms energy: -79.288225
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -11.814
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: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -182.752975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.752975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.752975 (E_RNA)
where:
Base-Base interactions energy: -115.889
where: short stacking energy: -53.875
Base-Backbone interact. energy: -1.249
local terms energy: -65.614462
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -11.227
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: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -186.154555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.154555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.154555 (E_RNA)
where:
Base-Base interactions energy: -119.931
where: short stacking energy: -45.931
Base-Backbone interact. energy: -0.293
local terms energy: -65.930076
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -107.105675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.105675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.105675 (E_RNA)
where:
Base-Base interactions energy: -40.968
where: short stacking energy: -40.968
Base-Backbone interact. energy: -0.177
local terms energy: -65.960193
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -11.597
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: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -93.023234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.023234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.023234 (E_RNA)
where:
Base-Base interactions energy: -39.418
where: short stacking energy: -32.492
Base-Backbone interact. energy: -0.256
local terms energy: -53.348459
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -88.170601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.170601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.170601 (E_RNA)
where:
Base-Base interactions energy: -26.511
where: short stacking energy: -26.511
Base-Backbone interact. energy: -0.299
local terms energy: -61.360878
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -79.404390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404390 (E_RNA)
where:
Base-Base interactions energy: -24.715
where: short stacking energy: -18.187
Base-Backbone interact. energy: 0.800
local terms energy: -55.488999
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -10.659
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: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -260.736477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.736477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.736477 (E_RNA)
where:
Base-Base interactions energy: -186.104
where: short stacking energy: -65.649
Base-Backbone interact. energy: 0.198
local terms energy: -74.830551
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -221.089736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.089736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.089736 (E_RNA)
where:
Base-Base interactions energy: -145.468
where: short stacking energy: -67.580
Base-Backbone interact. energy: -0.015
local terms energy: -75.606443
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -213.786679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.786679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.786679 (E_RNA)
where:
Base-Base interactions energy: -136.289
where: short stacking energy: -67.873
Base-Backbone interact. energy: -0.102
local terms energy: -77.395979
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -17.740
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: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -192.802288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.802288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.802288 (E_RNA)
where:
Base-Base interactions energy: -119.994
where: short stacking energy: -57.342
Base-Backbone interact. energy: -0.543
local terms energy: -72.265314
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -182.496939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.496939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.496939 (E_RNA)
where:
Base-Base interactions energy: -109.881
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.107
local terms energy: -72.508858
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -13.236
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: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -199.561386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.561386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.561386 (E_RNA)
where:
Base-Base interactions energy: -132.374
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.105
local terms energy: -67.082418
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -102.230812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.230812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.230812 (E_RNA)
where:
Base-Base interactions energy: -42.453
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.329
local terms energy: -59.449583
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.178
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -85.202654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.202654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.202654 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.237
local terms energy: -49.830402
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -0.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -102.290165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.290165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.290165 (E_RNA)
where:
Base-Base interactions energy: -45.440
where: short stacking energy: -39.865
Base-Backbone interact. energy: 0.504
local terms energy: -57.353519
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -74.361369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.361369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.361369 (E_RNA)
where:
Base-Base interactions energy: -25.329
where: short stacking energy: -20.368
Base-Backbone interact. energy: 3.776
local terms energy: -52.808768
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -264.468459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.468459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.468459 (E_RNA)
where:
Base-Base interactions energy: -188.865
where: short stacking energy: -61.954
Base-Backbone interact. energy: -1.650
local terms energy: -73.953137
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -217.494715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.494715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.494715 (E_RNA)
where:
Base-Base interactions energy: -145.300
where: short stacking energy: -67.798
Base-Backbone interact. energy: -0.143
local terms energy: -72.051701
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.660
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: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -209.645065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.645065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.645065 (E_RNA)
where:
Base-Base interactions energy: -128.313
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.134
local terms energy: -81.197507
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -19.169
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: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -192.076371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.076371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.076371 (E_RNA)
where:
Base-Base interactions energy: -110.589
where: short stacking energy: -54.229
Base-Backbone interact. energy: -0.100
local terms energy: -81.386878
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -167.691278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.691278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.691278 (E_RNA)
where:
Base-Base interactions energy: -90.558
where: short stacking energy: -54.374
Base-Backbone interact. energy: -0.078
local terms energy: -77.055399
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -186.814568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.814568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.814568 (E_RNA)
where:
Base-Base interactions energy: -121.240
where: short stacking energy: -65.121
Base-Backbone interact. energy: -0.034
local terms energy: -65.541034
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -5.179
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: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -92.982071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.982071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.982071 (E_RNA)
where:
Base-Base interactions energy: -43.453
where: short stacking energy: -30.444
Base-Backbone interact. energy: 1.972
local terms energy: -51.501300
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -10.717
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: 181
Temperature: 1.250000
Total energy: -107.705124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.705124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.705124 (E_RNA)
where:
Base-Base interactions energy: -52.954
where: short stacking energy: -43.747
Base-Backbone interact. energy: 0.130
local terms energy: -54.880401
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -102.466194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.466194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.466194 (E_RNA)
where:
Base-Base interactions energy: -55.288
where: short stacking energy: -30.476
Base-Backbone interact. energy: -0.399
local terms energy: -46.778601
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -86.658088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658088 (E_RNA)
where:
Base-Base interactions energy: -29.492
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.516
local terms energy: -56.649452
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -250.657261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.657261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.657261 (E_RNA)
where:
Base-Base interactions energy: -178.233
where: short stacking energy: -69.396
Base-Backbone interact. energy: -0.276
local terms energy: -72.147806
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -224.270097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.270097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.270097 (E_RNA)
where:
Base-Base interactions energy: -145.080
where: short stacking energy: -59.955
Base-Backbone interact. energy: -0.063
local terms energy: -79.126833
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.888
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: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -222.241069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.241069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.241069 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.393
local terms energy: -69.875850
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -195.732876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.732876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.732876 (E_RNA)
where:
Base-Base interactions energy: -124.945
where: short stacking energy: -58.217
Base-Backbone interact. energy: -0.030
local terms energy: -70.758252
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -194.162366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.162366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.162366 (E_RNA)
where:
Base-Base interactions energy: -122.257
where: short stacking energy: -56.126
Base-Backbone interact. energy: -0.101
local terms energy: -71.804257
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -145.268290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.268290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.268290 (E_RNA)
where:
Base-Base interactions energy: -82.883
where: short stacking energy: -39.696
Base-Backbone interact. energy: 0.065
local terms energy: -62.450092
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.349
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: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -103.816101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.816101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.816101 (E_RNA)
where:
Base-Base interactions energy: -49.200
where: short stacking energy: -28.607
Base-Backbone interact. energy: -0.994
local terms energy: -53.622017
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -5.760
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: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -94.683890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.683890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.683890 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -21.355
Base-Backbone interact. energy: -0.197
local terms energy: -59.458819
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -82.061416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.061416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.061416 (E_RNA)
where:
Base-Base interactions energy: -33.587
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.336
local terms energy: -48.137946
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -7.995
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -83.977520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.977520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.977520 (E_RNA)
where:
Base-Base interactions energy: -41.925
where: short stacking energy: -24.982
Base-Backbone interact. energy: -0.552
local terms energy: -41.501006
where:
bonds (distance) C4'-P energy: -8.275
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: 3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -260.134242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.134242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.134242 (E_RNA)
where:
Base-Base interactions energy: -181.609
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.526
local terms energy: -77.998956
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -16.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -217.617372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617372 (E_RNA)
where:
Base-Base interactions energy: -139.746
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.095
local terms energy: -77.775886
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -225.949443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.949443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.949443 (E_RNA)
where:
Base-Base interactions energy: -154.126
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.394
local terms energy: -71.428800
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -198.778375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.778375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.778375 (E_RNA)
where:
Base-Base interactions energy: -125.607
where: short stacking energy: -47.797
Base-Backbone interact. energy: -0.569
local terms energy: -72.602906
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -193.380450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.380450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.380450 (E_RNA)
where:
Base-Base interactions energy: -125.914
where: short stacking energy: -55.296
Base-Backbone interact. energy: 0.016
local terms energy: -67.481768
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -116.355117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.355117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.355117 (E_RNA)
where:
Base-Base interactions energy: -45.981
where: short stacking energy: -45.981
Base-Backbone interact. energy: -0.000
local terms energy: -70.374411
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -98.104917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.104917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.104917 (E_RNA)
where:
Base-Base interactions energy: -45.290
where: short stacking energy: -29.223
Base-Backbone interact. energy: 0.457
local terms energy: -53.272375
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -3.085
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: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -89.689128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.689128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.689128 (E_RNA)
where:
Base-Base interactions energy: -32.426
where: short stacking energy: -32.426
Base-Backbone interact. energy: 1.420
local terms energy: -58.683125
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -13.765
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: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -92.241781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.241781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.241781 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -31.551
Base-Backbone interact. energy: 0.017
local terms energy: -57.922069
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -79.956921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.956921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.956921 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -23.751
Base-Backbone interact. energy: 0.456
local terms energy: -46.504814
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -266.704605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.704605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.704605 (E_RNA)
where:
Base-Base interactions energy: -184.750
where: short stacking energy: -64.069
Base-Backbone interact. energy: -1.637
local terms energy: -80.316803
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -224.383449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.383449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.383449 (E_RNA)
where:
Base-Base interactions energy: -147.643
where: short stacking energy: -70.603
Base-Backbone interact. energy: 0.360
local terms energy: -77.100752
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -7.273
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: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -212.164905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.164905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.164905 (E_RNA)
where:
Base-Base interactions energy: -136.258
where: short stacking energy: -53.119
Base-Backbone interact. energy: -1.733
local terms energy: -74.174060
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -222.178827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.178827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.178827 (E_RNA)
where:
Base-Base interactions energy: -149.814
where: short stacking energy: -71.853
Base-Backbone interact. energy: -1.028
local terms energy: -71.337206
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -200.508800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.508800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.508800 (E_RNA)
where:
Base-Base interactions energy: -124.504
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.162
local terms energy: -75.842660
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -107.940764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.940764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.940764 (E_RNA)
where:
Base-Base interactions energy: -54.438
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.432
local terms energy: -53.070951
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -101.166229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.166229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.166229 (E_RNA)
where:
Base-Base interactions energy: -41.985
where: short stacking energy: -38.863
Base-Backbone interact. energy: -0.147
local terms energy: -59.033646
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -9.009
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: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -94.136998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.136998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.136998 (E_RNA)
where:
Base-Base interactions energy: -39.733
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.093
local terms energy: -54.311627
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -1.154
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -113.507065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.507065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.507065 (E_RNA)
where:
Base-Base interactions energy: -53.187
where: short stacking energy: -23.159
Base-Backbone interact. energy: -1.056
local terms energy: -59.263549
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -88.689969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.689969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.689969 (E_RNA)
where:
Base-Base interactions energy: -31.806
where: short stacking energy: -29.313
Base-Backbone interact. energy: -0.284
local terms energy: -56.599446
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -261.330552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.330552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.330552 (E_RNA)
where:
Base-Base interactions energy: -185.503
where: short stacking energy: -71.605
Base-Backbone interact. energy: 0.649
local terms energy: -76.477108
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -230.089586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.089586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.089586 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.461
local terms energy: -79.290919
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -219.301052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.301052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.301052 (E_RNA)
where:
Base-Base interactions energy: -140.145
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.011
local terms energy: -79.144782
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -193.978797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.978797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.978797 (E_RNA)
where:
Base-Base interactions energy: -115.815
where: short stacking energy: -57.375
Base-Backbone interact. energy: -0.173
local terms energy: -77.990925
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -12.067
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: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -191.758178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.758178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.758178 (E_RNA)
where:
Base-Base interactions energy: -116.775
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.120
local terms energy: -74.863067
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -96.980425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.980425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.980425 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.757
local terms energy: -58.436697
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -134.539491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.539491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.539491 (E_RNA)
where:
Base-Base interactions energy: -73.292
where: short stacking energy: -41.539
Base-Backbone interact. energy: 0.905
local terms energy: -62.152677
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -116.018052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.018052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.018052 (E_RNA)
where:
Base-Base interactions energy: -55.547
where: short stacking energy: -53.796
Base-Backbone interact. energy: -0.198
local terms energy: -60.273146
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -87.448725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448725 (E_RNA)
where:
Base-Base interactions energy: -22.229
where: short stacking energy: -20.226
Base-Backbone interact. energy: -0.044
local terms energy: -65.175708
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -82.080688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.080688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.080688 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -17.140
Base-Backbone interact. energy: 0.540
local terms energy: -47.455772
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: 3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -255.368860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.368860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.368860 (E_RNA)
where:
Base-Base interactions energy: -183.008
where: short stacking energy: -73.353
Base-Backbone interact. energy: 0.498
local terms energy: -72.859223
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -210.404514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.404514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.404514 (E_RNA)
where:
Base-Base interactions energy: -139.734
where: short stacking energy: -51.735
Base-Backbone interact. energy: -0.503
local terms energy: -70.167924
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.932
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: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -200.462234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462234 (E_RNA)
where:
Base-Base interactions energy: -128.637
where: short stacking energy: -40.289
Base-Backbone interact. energy: -0.987
local terms energy: -70.837809
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -213.704823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.704823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.704823 (E_RNA)
where:
Base-Base interactions energy: -147.724
where: short stacking energy: -61.533
Base-Backbone interact. energy: 0.587
local terms energy: -66.568629
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -12.412
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: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -184.910697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.910697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.910697 (E_RNA)
where:
Base-Base interactions energy: -103.993
where: short stacking energy: -49.827
Base-Backbone interact. energy: -0.253
local terms energy: -80.664774
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -96.095392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.095392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.095392 (E_RNA)
where:
Base-Base interactions energy: -40.275
where: short stacking energy: -38.884
Base-Backbone interact. energy: -0.184
local terms energy: -55.637088
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -6.537
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: 186
Temperature: 1.200000
Total energy: -97.637207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.637207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.637207 (E_RNA)
where:
Base-Base interactions energy: -38.309
where: short stacking energy: -37.093
Base-Backbone interact. energy: -0.094
local terms energy: -59.233864
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -8.469
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: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -119.762960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.762960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.762960 (E_RNA)
where:
Base-Base interactions energy: -64.395
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.251
local terms energy: -55.116437
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -77.782202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.782202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.782202 (E_RNA)
where:
Base-Base interactions energy: -28.038
where: short stacking energy: -28.038
Base-Backbone interact. energy: 0.226
local terms energy: -49.969617
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -6.918
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -84.589976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.589976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.589976 (E_RNA)
where:
Base-Base interactions energy: -22.929
where: short stacking energy: -22.929
Base-Backbone interact. energy: -0.175
local terms energy: -61.486080
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -257.299686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.299686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.299686 (E_RNA)
where:
Base-Base interactions energy: -189.198
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.216
local terms energy: -67.885664
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -13.304
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: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -214.595958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.595958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.595958 (E_RNA)
where:
Base-Base interactions energy: -134.620
where: short stacking energy: -53.008
Base-Backbone interact. energy: -0.251
local terms energy: -79.724263
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -206.235225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.235225 (E_RNA)
where:
Base-Base interactions energy: -129.783
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.191
local terms energy: -76.261591
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -16.745
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: 187
Temperature: 1.050000
Total energy: -182.214814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.214814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.214814 (E_RNA)
where:
Base-Base interactions energy: -114.246
where: short stacking energy: -60.155
Base-Backbone interact. energy: -0.651
local terms energy: -67.317949
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -198.704366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.704366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.704366 (E_RNA)
where:
Base-Base interactions energy: -120.198
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.012
local terms energy: -78.494219
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -115.879235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.879235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.879235 (E_RNA)
where:
Base-Base interactions energy: -55.529
where: short stacking energy: -41.207
Base-Backbone interact. energy: -0.812
local terms energy: -59.538489
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -7.757
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: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -114.825455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.825455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.825455 (E_RNA)
where:
Base-Base interactions energy: -50.705
where: short stacking energy: -40.090
Base-Backbone interact. energy: -0.066
local terms energy: -64.054282
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -153.242064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.242064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.242064 (E_RNA)
where:
Base-Base interactions energy: -85.139
where: short stacking energy: -47.828
Base-Backbone interact. energy: -0.055
local terms energy: -68.048630
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -91.633142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633142 (E_RNA)
where:
Base-Base interactions energy: -27.412
where: short stacking energy: -27.412
Base-Backbone interact. energy: -0.973
local terms energy: -63.248126
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -85.892283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.892283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.892283 (E_RNA)
where:
Base-Base interactions energy: -32.060
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.087
local terms energy: -53.745492
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -6.872
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -267.463095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.463095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.463095 (E_RNA)
where:
Base-Base interactions energy: -195.179
where: short stacking energy: -58.107
Base-Backbone interact. energy: -1.920
local terms energy: -70.364682
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -12.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -208.175875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.175875 (E_RNA)
where:
Base-Base interactions energy: -130.571
where: short stacking energy: -61.558
Base-Backbone interact. energy: -0.146
local terms energy: -77.458133
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -190.351781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.351781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.351781 (E_RNA)
where:
Base-Base interactions energy: -121.517
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.148
local terms energy: -68.686632
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -189.023987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.023987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.023987 (E_RNA)
where:
Base-Base interactions energy: -117.643
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.071
local terms energy: -71.310706
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -7.493
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: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -210.525602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.525602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.525602 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.130
local terms energy: -75.895620
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -112.461368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.461368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.461368 (E_RNA)
where:
Base-Base interactions energy: -57.627
where: short stacking energy: -43.151
Base-Backbone interact. energy: -0.153
local terms energy: -54.680551
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -8.543
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: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -174.353983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.353983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.353983 (E_RNA)
where:
Base-Base interactions energy: -106.476
where: short stacking energy: -54.156
Base-Backbone interact. energy: -0.147
local terms energy: -67.731448
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -89.582529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582529 (E_RNA)
where:
Base-Base interactions energy: -34.479
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.307
local terms energy: -54.797035
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -84.351514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.351514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.351514 (E_RNA)
where:
Base-Base interactions energy: -35.081
where: short stacking energy: -30.202
Base-Backbone interact. energy: 1.518
local terms energy: -50.789103
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -3.070
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: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -75.371353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.371353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.371353 (E_RNA)
where:
Base-Base interactions energy: -23.611
where: short stacking energy: -22.742
Base-Backbone interact. energy: -0.529
local terms energy: -51.230595
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: 2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -272.959553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.959553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.959553 (E_RNA)
where:
Base-Base interactions energy: -196.578
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.697
local terms energy: -75.683998
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -14.144
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: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -200.838538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.838538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.838538 (E_RNA)
where:
Base-Base interactions energy: -134.715
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.666
local terms energy: -65.457901
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -6.107
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: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -220.817745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.817745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.817745 (E_RNA)
where:
Base-Base interactions energy: -140.278
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.025
local terms energy: -80.515652
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -204.169580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.169580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.169580 (E_RNA)
where:
Base-Base interactions energy: -125.971
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.370
local terms energy: -77.828621
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -177.291450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.291450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.291450 (E_RNA)
where:
Base-Base interactions energy: -102.134
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.085
local terms energy: -75.072907
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -171.924576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.924576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.924576 (E_RNA)
where:
Base-Base interactions energy: -99.865
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.059
local terms energy: -72.001008
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -96.770971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.770971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.770971 (E_RNA)
where:
Base-Base interactions energy: -36.372
where: short stacking energy: -20.034
Base-Backbone interact. energy: -0.023
local terms energy: -60.375812
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -10.759
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: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -96.596860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.596860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.596860 (E_RNA)
where:
Base-Base interactions energy: -35.263
where: short stacking energy: -34.584
Base-Backbone interact. energy: -0.074
local terms energy: -61.259519
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -1.346
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: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -93.648238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.648238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.648238 (E_RNA)
where:
Base-Base interactions energy: -46.198
where: short stacking energy: -28.491
Base-Backbone interact. energy: -0.271
local terms energy: -47.179207
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -92.952697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.952697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.952697 (E_RNA)
where:
Base-Base interactions energy: -38.309
where: short stacking energy: -37.135
Base-Backbone interact. energy: -0.069
local terms energy: -54.573978
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -6.128
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: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -242.144811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.144811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.144811 (E_RNA)
where:
Base-Base interactions energy: -164.543
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.404
local terms energy: -77.198565
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -9.393
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: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -205.999154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.999154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.999154 (E_RNA)
where:
Base-Base interactions energy: -127.380
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.022
local terms energy: -78.597861
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -201.972186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.972186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.972186 (E_RNA)
where:
Base-Base interactions energy: -136.639
where: short stacking energy: -63.894
Base-Backbone interact. energy: -0.393
local terms energy: -64.940326
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -203.926807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.926807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.926807 (E_RNA)
where:
Base-Base interactions energy: -127.074
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.097
local terms energy: -76.755684
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.276
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: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -185.734063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.734063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.734063 (E_RNA)
where:
Base-Base interactions energy: -121.927
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.017
local terms energy: -63.790403
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -151.713604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.713604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.713604 (E_RNA)
where:
Base-Base interactions energy: -87.127
where: short stacking energy: -50.419
Base-Backbone interact. energy: -0.048
local terms energy: -64.538616
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -94.130772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.130772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.130772 (E_RNA)
where:
Base-Base interactions energy: -34.547
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.090
local terms energy: -59.493521
where:
bonds (distance) C4'-P energy: -8.132
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -107.521416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.521416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.521416 (E_RNA)
where:
Base-Base interactions energy: -43.265
where: short stacking energy: -43.265
Base-Backbone interact. energy: -0.194
local terms energy: -64.062508
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -91.398883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.398883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.398883 (E_RNA)
where:
Base-Base interactions energy: -40.415
where: short stacking energy: -36.544
Base-Backbone interact. energy: -0.363
local terms energy: -50.620888
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -79.747723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.747723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.747723 (E_RNA)
where:
Base-Base interactions energy: -27.449
where: short stacking energy: -18.726
Base-Backbone interact. energy: -1.484
local terms energy: -50.814954
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: 2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -243.612956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.612956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.612956 (E_RNA)
where:
Base-Base interactions energy: -166.495
where: short stacking energy: -69.494
Base-Backbone interact. energy: -0.407
local terms energy: -76.710654
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -213.369244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.369244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.369244 (E_RNA)
where:
Base-Base interactions energy: -142.536
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.907
local terms energy: -69.926826
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -202.362776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.362776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362776 (E_RNA)
where:
Base-Base interactions energy: -114.005
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.000
local terms energy: -88.358043
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -203.606227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.606227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.606227 (E_RNA)
where:
Base-Base interactions energy: -130.548
where: short stacking energy: -69.036
Base-Backbone interact. energy: -0.011
local terms energy: -73.046952
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -204.310734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.310734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.310734 (E_RNA)
where:
Base-Base interactions energy: -134.748
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.003
local terms energy: -69.559466
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.409
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: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -175.404167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.404167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.404167 (E_RNA)
where:
Base-Base interactions energy: -105.776
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.152
local terms energy: -69.476132
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -107.826647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.826647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.826647 (E_RNA)
where:
Base-Base interactions energy: -54.923
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.581
local terms energy: -52.323119
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -93.476224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.476224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.476224 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.418
local terms energy: -56.098159
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -89.428925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.428925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.428925 (E_RNA)
where:
Base-Base interactions energy: -35.188
where: short stacking energy: -21.620
Base-Backbone interact. energy: -0.366
local terms energy: -53.874888
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.820
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: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -80.111234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.111234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.111234 (E_RNA)
where:
Base-Base interactions energy: -24.358
where: short stacking energy: -24.758
Base-Backbone interact. energy: -0.371
local terms energy: -55.381948
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -3.682
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: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -245.934989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.934989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.934989 (E_RNA)
where:
Base-Base interactions energy: -167.431
where: short stacking energy: -69.314
Base-Backbone interact. energy: -0.456
local terms energy: -78.047874
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.054
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: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -221.157974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.157974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.157974 (E_RNA)
where:
Base-Base interactions energy: -143.505
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.006
local terms energy: -77.646896
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -207.773886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.773886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.773886 (E_RNA)
where:
Base-Base interactions energy: -137.553
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.109
local terms energy: -70.112005
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -199.675907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.675907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.675907 (E_RNA)
where:
Base-Base interactions energy: -136.851
where: short stacking energy: -57.982
Base-Backbone interact. energy: 0.062
local terms energy: -62.886893
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -150.682567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.682567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.682567 (E_RNA)
where:
Base-Base interactions energy: -95.321
where: short stacking energy: -43.304
Base-Backbone interact. energy: -0.266
local terms energy: -55.095368
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -167.517180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.517180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.517180 (E_RNA)
where:
Base-Base interactions energy: -97.915
where: short stacking energy: -57.090
Base-Backbone interact. energy: -0.068
local terms energy: -69.534682
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -8.923
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: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -96.650332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.650332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.650332 (E_RNA)
where:
Base-Base interactions energy: -35.641
where: short stacking energy: -23.699
Base-Backbone interact. energy: -0.451
local terms energy: -60.558520
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.315
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: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -90.619326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.619326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.619326 (E_RNA)
where:
Base-Base interactions energy: -36.220
where: short stacking energy: -36.220
Base-Backbone interact. energy: -0.232
local terms energy: -54.167478
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -3.526
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: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -96.501637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.501637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.501637 (E_RNA)
where:
Base-Base interactions energy: -41.440
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.230
local terms energy: -54.831329
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -84.098630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.098630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.098630 (E_RNA)
where:
Base-Base interactions energy: -36.129
where: short stacking energy: -27.367
Base-Backbone interact. energy: 2.316
local terms energy: -50.285208
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -247.960490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.960490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.960490 (E_RNA)
where:
Base-Base interactions energy: -171.652
where: short stacking energy: -72.408
Base-Backbone interact. energy: -0.978
local terms energy: -75.330869
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -218.653260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.653260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.653260 (E_RNA)
where:
Base-Base interactions energy: -142.301
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.011
local terms energy: -76.341191
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -210.429290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.429290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.429290 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.058
local terms energy: -77.560167
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -190.626155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.626155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.626155 (E_RNA)
where:
Base-Base interactions energy: -122.877
where: short stacking energy: -53.303
Base-Backbone interact. energy: 0.636
local terms energy: -68.384413
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -151.432025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.432025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.432025 (E_RNA)
where:
Base-Base interactions energy: -91.477
where: short stacking energy: -40.268
Base-Backbone interact. energy: -0.070
local terms energy: -59.885349
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -164.997139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.997139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.997139 (E_RNA)
where:
Base-Base interactions energy: -107.406
where: short stacking energy: -50.027
Base-Backbone interact. energy: -0.034
local terms energy: -57.556335
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -104.983433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.983433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.983433 (E_RNA)
where:
Base-Base interactions energy: -40.523
where: short stacking energy: -40.523
Base-Backbone interact. energy: -0.018
local terms energy: -64.442922
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -100.224709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.224709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.224709 (E_RNA)
where:
Base-Base interactions energy: -39.853
where: short stacking energy: -39.853
Base-Backbone interact. energy: -0.032
local terms energy: -60.340379
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -6.139
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: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -96.604075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.604075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.604075 (E_RNA)
where:
Base-Base interactions energy: -47.598
where: short stacking energy: -36.017
Base-Backbone interact. energy: -0.036
local terms energy: -48.970554
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -84.401786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.401786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.401786 (E_RNA)
where:
Base-Base interactions energy: -29.528
where: short stacking energy: -28.320
Base-Backbone interact. energy: -0.271
local terms energy: -54.602401
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: 2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -241.517076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.517076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.517076 (E_RNA)
where:
Base-Base interactions energy: -161.589
where: short stacking energy: -67.864
Base-Backbone interact. energy: -1.037
local terms energy: -78.890720
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -15.842
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: 194
Temperature: 0.950000
Total energy: -216.068095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.068095 (E_RNA)
where:
Base-Base interactions energy: -145.911
where: short stacking energy: -56.364
Base-Backbone interact. energy: -0.966
local terms energy: -69.190798
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -13.516
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: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -179.050340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.050340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.050340 (E_RNA)
where:
Base-Base interactions energy: -118.801
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.342
local terms energy: -59.907443
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -11.405
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: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -216.594364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.594364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.594364 (E_RNA)
where:
Base-Base interactions energy: -144.990
where: short stacking energy: -68.981
Base-Backbone interact. energy: -1.432
local terms energy: -70.172228
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -12.549
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: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -145.938157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.938157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.938157 (E_RNA)
where:
Base-Base interactions energy: -82.349
where: short stacking energy: -37.315
Base-Backbone interact. energy: -0.097
local terms energy: -63.492609
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -139.080699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.080699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.080699 (E_RNA)
where:
Base-Base interactions energy: -72.284
where: short stacking energy: -45.217
Base-Backbone interact. energy: -0.235
local terms energy: -66.562057
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -112.118970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.118970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.118970 (E_RNA)
where:
Base-Base interactions energy: -48.556
where: short stacking energy: -48.556
Base-Backbone interact. energy: -0.173
local terms energy: -63.390019
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -103.314646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.314646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.314646 (E_RNA)
where:
Base-Base interactions energy: -46.994
where: short stacking energy: -32.656
Base-Backbone interact. energy: -0.089
local terms energy: -56.231787
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -82.404803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.404803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.404803 (E_RNA)
where:
Base-Base interactions energy: -27.078
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.026
local terms energy: -55.301483
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -90.193647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.193647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.193647 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -30.189
Base-Backbone interact. energy: -0.934
local terms energy: -52.141761
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -245.853331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.853331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.853331 (E_RNA)
where:
Base-Base interactions energy: -159.731
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.522
local terms energy: -85.599710
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -216.994433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.994433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.994433 (E_RNA)
where:
Base-Base interactions energy: -142.907
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.298
local terms energy: -73.789365
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -11.739
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: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -200.247111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.247111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.247111 (E_RNA)
where:
Base-Base interactions energy: -121.072
where: short stacking energy: -56.127
Base-Backbone interact. energy: -1.226
local terms energy: -77.949646
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -194.306355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.306355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.306355 (E_RNA)
where:
Base-Base interactions energy: -125.936
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.128
local terms energy: -68.242233
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -9.465
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: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -135.673087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.673087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.673087 (E_RNA)
where:
Base-Base interactions energy: -63.554
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.108
local terms energy: -72.010933
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -153.461214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.461214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.461214 (E_RNA)
where:
Base-Base interactions energy: -90.726
where: short stacking energy: -53.457
Base-Backbone interact. energy: -0.014
local terms energy: -62.720376
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -103.468304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.468304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.468304 (E_RNA)
where:
Base-Base interactions energy: -46.914
where: short stacking energy: -43.164
Base-Backbone interact. energy: 2.257
local terms energy: -58.811522
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -96.697359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.697359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.697359 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -25.405
Base-Backbone interact. energy: -0.287
local terms energy: -57.323881
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -12.533
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: 195
Temperature: 1.300000
Total energy: -85.892566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.892566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.892566 (E_RNA)
where:
Base-Base interactions energy: -28.130
where: short stacking energy: -28.130
Base-Backbone interact. energy: -0.247
local terms energy: -57.515660
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -77.429016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429016 (E_RNA)
where:
Base-Base interactions energy: -31.526
where: short stacking energy: -25.739
Base-Backbone interact. energy: 1.947
local terms energy: -47.850110
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -248.944139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.944139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.944139 (E_RNA)
where:
Base-Base interactions energy: -174.553
where: short stacking energy: -64.078
Base-Backbone interact. energy: -1.152
local terms energy: -73.239395
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -217.094692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.094692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.094692 (E_RNA)
where:
Base-Base interactions energy: -150.939
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.626
local terms energy: -65.529575
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -5.306
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -9.472
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: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -203.385833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.385833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.385833 (E_RNA)
where:
Base-Base interactions energy: -128.235
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.352
local terms energy: -74.798262
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -193.536382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.536382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.536382 (E_RNA)
where:
Base-Base interactions energy: -125.219
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.242
local terms energy: -68.074767
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -143.346167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.346167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.346167 (E_RNA)
where:
Base-Base interactions energy: -76.045
where: short stacking energy: -45.718
Base-Backbone interact. energy: -0.349
local terms energy: -66.952427
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -98.186560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.186560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.186560 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -38.465
Base-Backbone interact. energy: -0.129
local terms energy: -59.592494
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -108.125694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.125694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.125694 (E_RNA)
where:
Base-Base interactions energy: -57.169
where: short stacking energy: -35.835
Base-Backbone interact. energy: -0.670
local terms energy: -50.287233
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: 1.442
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -96.480330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.480330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.480330 (E_RNA)
where:
Base-Base interactions energy: -44.425
where: short stacking energy: -44.425
Base-Backbone interact. energy: 0.089
local terms energy: -52.143943
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -1.084
flat angles P-C4'-P energy: -9.819
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: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -86.791827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.791827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.791827 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -32.124
Base-Backbone interact. energy: 0.188
local terms energy: -52.512394
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -79.584953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.584953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.584953 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -29.974
Base-Backbone interact. energy: 2.224
local terms energy: -51.834755
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -9.920
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: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -257.910234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.910234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.910234 (E_RNA)
where:
Base-Base interactions energy: -179.741
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.967
local terms energy: -77.202614
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -11.554
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: 197
Temperature: 0.950000
Total energy: -224.252683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.252683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.252683 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.191
local terms energy: -77.729101
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -13.122
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -199.740448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.740448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.740448 (E_RNA)
where:
Base-Base interactions energy: -125.927
where: short stacking energy: -61.439
Base-Backbone interact. energy: -0.021
local terms energy: -73.792377
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -198.528331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.528331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.528331 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.194
local terms energy: -65.521886
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -144.637721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.637721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.637721 (E_RNA)
where:
Base-Base interactions energy: -77.896
where: short stacking energy: -46.418
Base-Backbone interact. energy: -1.524
local terms energy: -65.217043
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -109.700046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.700046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.700046 (E_RNA)
where:
Base-Base interactions energy: -53.879
where: short stacking energy: -40.769
Base-Backbone interact. energy: -0.038
local terms energy: -55.783179
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -132.806203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.806203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.806203 (E_RNA)
where:
Base-Base interactions energy: -87.285
where: short stacking energy: -34.846
Base-Backbone interact. energy: -0.921
local terms energy: -44.600404
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -94.325875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.325875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.325875 (E_RNA)
where:
Base-Base interactions energy: -33.352
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.175
local terms energy: -60.798962
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -4.986
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: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -91.556303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.556303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.556303 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -27.260
Base-Backbone interact. energy: 0.502
local terms energy: -64.797481
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -89.973311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.973311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.973311 (E_RNA)
where:
Base-Base interactions energy: -33.864
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.148
local terms energy: -55.960584
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -248.769062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.769062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.769062 (E_RNA)
where:
Base-Base interactions energy: -172.767
where: short stacking energy: -68.457
Base-Backbone interact. energy: -0.259
local terms energy: -75.742175
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -12.661
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: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -221.933767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.933767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.933767 (E_RNA)
where:
Base-Base interactions energy: -152.126
where: short stacking energy: -69.085
Base-Backbone interact. energy: 0.864
local terms energy: -70.671701
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.331
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: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -197.625977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.625977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.625977 (E_RNA)
where:
Base-Base interactions energy: -119.724
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.120
local terms energy: -77.782309
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -195.637507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.637507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.637507 (E_RNA)
where:
Base-Base interactions energy: -119.041
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.008
local terms energy: -76.588670
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -10.450
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: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -113.073142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.073142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.073142 (E_RNA)
where:
Base-Base interactions energy: -58.769
where: short stacking energy: -24.384
Base-Backbone interact. energy: 1.377
local terms energy: -55.681148
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -103.556198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.556198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.556198 (E_RNA)
where:
Base-Base interactions energy: -53.677
where: short stacking energy: -27.756
Base-Backbone interact. energy: -0.111
local terms energy: -49.767967
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -165.370320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.370320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.370320 (E_RNA)
where:
Base-Base interactions energy: -109.860
where: short stacking energy: -47.402
Base-Backbone interact. energy: -0.012
local terms energy: -55.498188
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -96.320225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.320225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.320225 (E_RNA)
where:
Base-Base interactions energy: -41.533
where: short stacking energy: -40.784
Base-Backbone interact. energy: -0.211
local terms energy: -54.576858
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -6.959
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -91.698336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.698336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.698336 (E_RNA)
where:
Base-Base interactions energy: -35.761
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.828
local terms energy: -55.109435
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: 0.409
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: 198
Temperature: 1.350000
Total energy: -79.946416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.946416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.946416 (E_RNA)
where:
Base-Base interactions energy: -36.985
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.322
local terms energy: -42.639463
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: 1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -248.120032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.120032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.120032 (E_RNA)
where:
Base-Base interactions energy: -165.526
where: short stacking energy: -76.251
Base-Backbone interact. energy: -0.100
local terms energy: -82.493943
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -204.306456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.306456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.306456 (E_RNA)
where:
Base-Base interactions energy: -129.523
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.007
local terms energy: -74.776682
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -193.208591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.208591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.208591 (E_RNA)
where:
Base-Base interactions energy: -123.985
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.055
local terms energy: -69.168329
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -196.991607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.991607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.991607 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -68.993
Base-Backbone interact. energy: -0.002
local terms energy: -78.155774
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -114.683351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.683351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.683351 (E_RNA)
where:
Base-Base interactions energy: -45.410
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.004
local terms energy: -69.268969
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -8.209
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: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -168.930679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.930679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.930679 (E_RNA)
where:
Base-Base interactions energy: -107.402
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.036
local terms energy: -61.492620
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -9.713
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: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -104.717274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.717274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.717274 (E_RNA)
where:
Base-Base interactions energy: -49.180
where: short stacking energy: -33.251
Base-Backbone interact. energy: -0.689
local terms energy: -54.847699
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -103.196546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.196546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.196546 (E_RNA)
where:
Base-Base interactions energy: -44.690
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.265
local terms energy: -58.241460
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -86.990196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.990196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.990196 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -30.086
Base-Backbone interact. energy: 3.973
local terms energy: -56.774463
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -6.150
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: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -90.397118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.397118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.397118 (E_RNA)
where:
Base-Base interactions energy: -30.077
where: short stacking energy: -30.077
Base-Backbone interact. energy: -0.254
local terms energy: -60.066494
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.233
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: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -252.485787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.485787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.485787 (E_RNA)
where:
Base-Base interactions energy: -161.666
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.333
local terms energy: -90.486778
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -219.913485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913485 (E_RNA)
where:
Base-Base interactions energy: -137.139
where: short stacking energy: -74.221
Base-Backbone interact. energy: -0.051
local terms energy: -82.723192
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -206.784706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.784706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.784706 (E_RNA)
where:
Base-Base interactions energy: -134.907
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.588
local terms energy: -71.290028
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -192.912789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.912789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.912789 (E_RNA)
where:
Base-Base interactions energy: -115.689
where: short stacking energy: -70.321
Base-Backbone interact. energy: -0.229
local terms energy: -76.995411
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -169.407833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.407833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.407833 (E_RNA)
where:
Base-Base interactions energy: -105.144
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.032
local terms energy: -64.231856
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -105.874763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.874763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.874763 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -34.118
Base-Backbone interact. energy: -1.011
local terms energy: -60.693437
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -101.749307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.749307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.749307 (E_RNA)
where:
Base-Base interactions energy: -41.491
where: short stacking energy: -36.996
Base-Backbone interact. energy: -0.346
local terms energy: -59.912777
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -11.680
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: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -100.365347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.365347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.365347 (E_RNA)
where:
Base-Base interactions energy: -36.100
where: short stacking energy: -30.831
Base-Backbone interact. energy: -0.052
local terms energy: -64.213098
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -79.178111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178111 (E_RNA)
where:
Base-Base interactions energy: -29.749
where: short stacking energy: -29.749
Base-Backbone interact. energy: -0.194
local terms energy: -49.235001
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: 0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -86.296459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.296459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.296459 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -26.803
Base-Backbone interact. energy: -0.242
local terms energy: -59.251921
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -247.376774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.376774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.376774 (E_RNA)
where:
Base-Base interactions energy: -163.857
where: short stacking energy: -76.810
Base-Backbone interact. energy: -1.246
local terms energy: -82.273148
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -212.174655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.174655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.174655 (E_RNA)
where:
Base-Base interactions energy: -130.506
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.003
local terms energy: -81.665983
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -20.923
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: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -221.629151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.629151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.629151 (E_RNA)
where:
Base-Base interactions energy: -147.474
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.089
local terms energy: -74.066268
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -179.090379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.090379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.090379 (E_RNA)
where:
Base-Base interactions energy: -113.064
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.305
local terms energy: -65.721711
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -198.636480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.636480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.636480 (E_RNA)
where:
Base-Base interactions energy: -121.630
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.125
local terms energy: -76.881719
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -109.800467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.800467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.800467 (E_RNA)
where:
Base-Base interactions energy: -53.184
where: short stacking energy: -38.498
Base-Backbone interact. energy: 0.475
local terms energy: -57.091296
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -2.078
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: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -103.536122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.536122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.536122 (E_RNA)
where:
Base-Base interactions energy: -46.859
where: short stacking energy: -32.289
Base-Backbone interact. energy: -0.178
local terms energy: -56.498432
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -87.317164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.317164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.317164 (E_RNA)
where:
Base-Base interactions energy: -32.742
where: short stacking energy: -31.927
Base-Backbone interact. energy: -0.749
local terms energy: -53.826757
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -83.232741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.232741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.232741 (E_RNA)
where:
Base-Base interactions energy: -31.882
where: short stacking energy: -29.406
Base-Backbone interact. energy: -1.007
local terms energy: -50.343511
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -9.260
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -84.644596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.644596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.644596 (E_RNA)
where:
Base-Base interactions energy: -24.946
where: short stacking energy: -23.929
Base-Backbone interact. energy: -0.007
local terms energy: -59.692196
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -5.908
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: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -238.944410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.944410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.944410 (E_RNA)
where:
Base-Base interactions energy: -163.475
where: short stacking energy: -72.729
Base-Backbone interact. energy: -0.115
local terms energy: -75.354479
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -197.491175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.491175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.491175 (E_RNA)
where:
Base-Base interactions energy: -122.700
where: short stacking energy: -66.243
Base-Backbone interact. energy: 0.616
local terms energy: -75.406906
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -209.210706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210706 (E_RNA)
where:
Base-Base interactions energy: -140.938
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.708
local terms energy: -67.563781
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -188.348464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.348464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.348464 (E_RNA)
where:
Base-Base interactions energy: -110.253
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.514
local terms energy: -77.580952
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -196.555335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.555335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.555335 (E_RNA)
where:
Base-Base interactions energy: -119.964
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.226
local terms energy: -76.365660
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -113.188814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.188814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.188814 (E_RNA)
where:
Base-Base interactions energy: -50.778
where: short stacking energy: -34.708
Base-Backbone interact. energy: 0.897
local terms energy: -63.307156
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -7.142
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: 202
Temperature: 1.200000
Total energy: -102.777963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.777963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.777963 (E_RNA)
where:
Base-Base interactions energy: -41.710
where: short stacking energy: -36.450
Base-Backbone interact. energy: -0.483
local terms energy: -60.584799
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -94.281607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.281607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.281607 (E_RNA)
where:
Base-Base interactions energy: -47.589
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.090
local terms energy: -46.602014
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -92.815633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.815633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.815633 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.258
local terms energy: -59.313436
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -77.672380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.672380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.672380 (E_RNA)
where:
Base-Base interactions energy: -26.251
where: short stacking energy: -26.117
Base-Backbone interact. energy: 0.473
local terms energy: -51.894373
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -9.836
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -242.222681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.222681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.222681 (E_RNA)
where:
Base-Base interactions energy: -159.600
where: short stacking energy: -71.159
Base-Backbone interact. energy: -0.154
local terms energy: -82.468914
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -208.430944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.430944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.430944 (E_RNA)
where:
Base-Base interactions energy: -132.452
where: short stacking energy: -70.083
Base-Backbone interact. energy: -0.003
local terms energy: -75.975970
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -196.841788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.841788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.841788 (E_RNA)
where:
Base-Base interactions energy: -129.434
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.241
local terms energy: -67.166628
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -203.831275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.831275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.831275 (E_RNA)
where:
Base-Base interactions energy: -126.760
where: short stacking energy: -68.839
Base-Backbone interact. energy: -0.178
local terms energy: -76.893489
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -173.066515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.066515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.066515 (E_RNA)
where:
Base-Base interactions energy: -101.487
where: short stacking energy: -50.219
Base-Backbone interact. energy: -0.028
local terms energy: -71.551151
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -133.875983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.875983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.875983 (E_RNA)
where:
Base-Base interactions energy: -69.267
where: short stacking energy: -33.678
Base-Backbone interact. energy: 0.000
local terms energy: -64.608778
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -10.306
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: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -94.619225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.619225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.619225 (E_RNA)
where:
Base-Base interactions energy: -39.029
where: short stacking energy: -35.046
Base-Backbone interact. energy: 0.902
local terms energy: -56.492379
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -99.944747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.944747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.944747 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -39.078
Base-Backbone interact. energy: -0.006
local terms energy: -60.860585
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -91.263800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.263800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.263800 (E_RNA)
where:
Base-Base interactions energy: -32.172
where: short stacking energy: -32.172
Base-Backbone interact. energy: -0.371
local terms energy: -58.720395
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -79.807954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.807954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.807954 (E_RNA)
where:
Base-Base interactions energy: -26.916
where: short stacking energy: -20.668
Base-Backbone interact. energy: 0.272
local terms energy: -53.163840
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -243.700171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.700171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.700171 (E_RNA)
where:
Base-Base interactions energy: -162.511
where: short stacking energy: -66.329
Base-Backbone interact. energy: 0.572
local terms energy: -81.760905
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -200.514828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.514828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.514828 (E_RNA)
where:
Base-Base interactions energy: -130.802
where: short stacking energy: -52.767
Base-Backbone interact. energy: -0.111
local terms energy: -69.601407
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -208.908055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.908055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.908055 (E_RNA)
where:
Base-Base interactions energy: -132.869
where: short stacking energy: -65.154
Base-Backbone interact. energy: 0.018
local terms energy: -76.057241
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -15.767
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: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -196.741296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.741296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.741296 (E_RNA)
where:
Base-Base interactions energy: -120.137
where: short stacking energy: -62.447
Base-Backbone interact. energy: -0.735
local terms energy: -75.869483
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -172.485853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.485853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.485853 (E_RNA)
where:
Base-Base interactions energy: -110.874
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.050
local terms energy: -61.561533
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -140.834841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.834841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.834841 (E_RNA)
where:
Base-Base interactions energy: -76.932
where: short stacking energy: -38.887
Base-Backbone interact. energy: -0.390
local terms energy: -63.512739
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.384
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: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -94.921249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921249 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.030
local terms energy: -58.943579
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -97.187283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.187283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.187283 (E_RNA)
where:
Base-Base interactions energy: -43.419
where: short stacking energy: -38.095
Base-Backbone interact. energy: -0.182
local terms energy: -53.585763
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -93.987811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.987811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.987811 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.119
local terms energy: -58.692779
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -82.947663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.947663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.947663 (E_RNA)
where:
Base-Base interactions energy: -36.173
where: short stacking energy: -36.173
Base-Backbone interact. energy: 0.347
local terms energy: -47.122036
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -5.002
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: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -245.083130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.083130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.083130 (E_RNA)
where:
Base-Base interactions energy: -170.533
where: short stacking energy: -68.151
Base-Backbone interact. energy: -0.170
local terms energy: -74.380082
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -210.139437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.139437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.139437 (E_RNA)
where:
Base-Base interactions energy: -136.081
where: short stacking energy: -60.993
Base-Backbone interact. energy: -0.181
local terms energy: -73.877236
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -207.346101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.346101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.346101 (E_RNA)
where:
Base-Base interactions energy: -130.167
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.432
local terms energy: -76.747687
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -16.517
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: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -203.887029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.887029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.887029 (E_RNA)
where:
Base-Base interactions energy: -131.003
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.131
local terms energy: -72.752381
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -170.017269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.017269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.017269 (E_RNA)
where:
Base-Base interactions energy: -106.001
where: short stacking energy: -46.830
Base-Backbone interact. energy: -0.107
local terms energy: -63.909393
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -117.334853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.334853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.334853 (E_RNA)
where:
Base-Base interactions energy: -51.761
where: short stacking energy: -31.314
Base-Backbone interact. energy: -0.428
local terms energy: -65.145760
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -127.414032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.414032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.414032 (E_RNA)
where:
Base-Base interactions energy: -68.313
where: short stacking energy: -25.534
Base-Backbone interact. energy: -0.274
local terms energy: -58.826419
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -97.695694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.695694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.695694 (E_RNA)
where:
Base-Base interactions energy: -43.960
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.208
local terms energy: -53.527203
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -90.410868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.410868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.410868 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -31.881
Base-Backbone interact. energy: -0.472
local terms energy: -53.368625
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -75.660490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.660490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.660490 (E_RNA)
where:
Base-Base interactions energy: -32.590
where: short stacking energy: -28.559
Base-Backbone interact. energy: -0.228
local terms energy: -42.842506
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -210.165069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.165069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.165069 (E_RNA)
where:
Base-Base interactions energy: -144.872
where: short stacking energy: -71.228
Base-Backbone interact. energy: -0.351
local terms energy: -64.942551
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -17.314
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: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -240.210195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.210195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.210195 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -68.593
Base-Backbone interact. energy: -0.291
local terms energy: -78.093674
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -19.651
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -194.806123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.806123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.806123 (E_RNA)
where:
Base-Base interactions energy: -121.176
where: short stacking energy: -70.612
Base-Backbone interact. energy: -0.012
local terms energy: -73.617600
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -203.166890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.166890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.166890 (E_RNA)
where:
Base-Base interactions energy: -124.452
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.945
local terms energy: -77.770021
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -13.052
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: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -180.502247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.502247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.502247 (E_RNA)
where:
Base-Base interactions energy: -118.865
where: short stacking energy: -50.192
Base-Backbone interact. energy: 0.615
local terms energy: -62.252477
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -10.177
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: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -124.268348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.268348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.268348 (E_RNA)
where:
Base-Base interactions energy: -54.259
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.121
local terms energy: -69.888435
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -155.573088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.573088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.573088 (E_RNA)
where:
Base-Base interactions energy: -100.123
where: short stacking energy: -48.653
Base-Backbone interact. energy: -0.135
local terms energy: -55.314558
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -112.591029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.591029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.591029 (E_RNA)
where:
Base-Base interactions energy: -59.596
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.439
local terms energy: -52.555969
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -91.642695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.642695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.642695 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -31.097
Base-Backbone interact. energy: 0.177
local terms energy: -57.523863
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -89.013451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.013451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.013451 (E_RNA)
where:
Base-Base interactions energy: -38.058
where: short stacking energy: -38.058
Base-Backbone interact. energy: -0.272
local terms energy: -50.683611
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -1.909
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: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -219.099667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.099667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.099667 (E_RNA)
where:
Base-Base interactions energy: -141.461
where: short stacking energy: -65.047
Base-Backbone interact. energy: 1.354
local terms energy: -78.992240
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -237.332612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.332612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.332612 (E_RNA)
where:
Base-Base interactions energy: -152.935
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.623
local terms energy: -83.774052
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -8.909
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: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -201.295471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.295471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.295471 (E_RNA)
where:
Base-Base interactions energy: -133.868
where: short stacking energy: -54.735
Base-Backbone interact. energy: 0.049
local terms energy: -67.476360
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -198.218856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.218856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.218856 (E_RNA)
where:
Base-Base interactions energy: -120.527
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.082
local terms energy: -77.609596
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -186.497785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.497785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.497785 (E_RNA)
where:
Base-Base interactions energy: -112.223
where: short stacking energy: -66.025
Base-Backbone interact. energy: -0.094
local terms energy: -74.180856
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -150.652173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.652173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.652173 (E_RNA)
where:
Base-Base interactions energy: -91.781
where: short stacking energy: -49.457
Base-Backbone interact. energy: -0.492
local terms energy: -58.379034
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -118.972976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.972976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.972976 (E_RNA)
where:
Base-Base interactions energy: -61.881
where: short stacking energy: -32.899
Base-Backbone interact. energy: -0.296
local terms energy: -56.795488
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -91.109286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.109286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.109286 (E_RNA)
where:
Base-Base interactions energy: -30.443
where: short stacking energy: -25.609
Base-Backbone interact. energy: -1.259
local terms energy: -59.407256
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -101.640405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.640405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.640405 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -34.915
Base-Backbone interact. energy: -0.319
local terms energy: -59.943012
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -83.192558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.192558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.192558 (E_RNA)
where:
Base-Base interactions energy: -31.985
where: short stacking energy: -11.585
Base-Backbone interact. energy: -0.703
local terms energy: -50.504215
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -7.162
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: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -240.118056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.118056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.118056 (E_RNA)
where:
Base-Base interactions energy: -158.813
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.105
local terms energy: -81.200215
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -223.917718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.917718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.917718 (E_RNA)
where:
Base-Base interactions energy: -146.203
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.006
local terms energy: -77.708720
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -204.381454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.381454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.381454 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.003
local terms energy: -84.751876
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -197.768687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768687 (E_RNA)
where:
Base-Base interactions energy: -130.846
where: short stacking energy: -57.693
Base-Backbone interact. energy: -1.786
local terms energy: -65.137407
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -186.359051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.359051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.359051 (E_RNA)
where:
Base-Base interactions energy: -114.144
where: short stacking energy: -64.331
Base-Backbone interact. energy: -0.109
local terms energy: -72.106546
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -17.557
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: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -166.000894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.000894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.000894 (E_RNA)
where:
Base-Base interactions energy: -104.512
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.136
local terms energy: -61.352620
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -9.906
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: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -127.898429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.898429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.898429 (E_RNA)
where:
Base-Base interactions energy: -73.975
where: short stacking energy: -46.409
Base-Backbone interact. energy: -0.887
local terms energy: -53.036866
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -94.618773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.618773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.618773 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -37.838
Base-Backbone interact. energy: -0.051
local terms energy: -54.996841
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -97.773931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.773931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.773931 (E_RNA)
where:
Base-Base interactions energy: -40.095
where: short stacking energy: -31.167
Base-Backbone interact. energy: -0.135
local terms energy: -57.544110
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -102.047750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.047750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.047750 (E_RNA)
where:
Base-Base interactions energy: -41.287
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.206
local terms energy: -60.554764
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -235.089603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.089603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.089603 (E_RNA)
where:
Base-Base interactions energy: -145.435
where: short stacking energy: -63.651
Base-Backbone interact. energy: -0.328
local terms energy: -89.326344
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -206.576433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.576433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.576433 (E_RNA)
where:
Base-Base interactions energy: -124.406
where: short stacking energy: -66.217
Base-Backbone interact. energy: -1.042
local terms energy: -81.128389
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -214.672465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.672465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.672465 (E_RNA)
where:
Base-Base interactions energy: -148.119
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.025
local terms energy: -66.528466
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -195.506883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.506883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.506883 (E_RNA)
where:
Base-Base interactions energy: -127.063
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.088
local terms energy: -68.356091
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -10.989
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: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -174.546498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.546498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.546498 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -51.359
Base-Backbone interact. energy: 0.190
local terms energy: -66.915011
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -177.893022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.893022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.893022 (E_RNA)
where:
Base-Base interactions energy: -115.469
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.090
local terms energy: -62.333202
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -102.147099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147099 (E_RNA)
where:
Base-Base interactions energy: -48.401
where: short stacking energy: -30.798
Base-Backbone interact. energy: 0.225
local terms energy: -53.971439
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -1.600
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: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -92.879300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.879300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.879300 (E_RNA)
where:
Base-Base interactions energy: -34.375
where: short stacking energy: -28.621
Base-Backbone interact. energy: 0.095
local terms energy: -58.598969
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -93.977018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.977018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.977018 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -25.346
Base-Backbone interact. energy: -0.241
local terms energy: -52.798556
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -81.690976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.690976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.690976 (E_RNA)
where:
Base-Base interactions energy: -20.599
where: short stacking energy: -20.227
Base-Backbone interact. energy: -0.213
local terms energy: -60.878393
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -244.572915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.572915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.572915 (E_RNA)
where:
Base-Base interactions energy: -161.303
where: short stacking energy: -76.771
Base-Backbone interact. energy: -1.574
local terms energy: -81.696052
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -205.984927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.984927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.984927 (E_RNA)
where:
Base-Base interactions energy: -133.940
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.664
local terms energy: -71.381686
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -201.960825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.960825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.960825 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.193
local terms energy: -63.313432
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -7.866
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: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -198.466668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.466668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.466668 (E_RNA)
where:
Base-Base interactions energy: -128.706
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.109
local terms energy: -69.652319
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -9.657
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: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -190.024905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.024905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.024905 (E_RNA)
where:
Base-Base interactions energy: -121.093
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.112
local terms energy: -68.819585
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -164.068794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.068794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.068794 (E_RNA)
where:
Base-Base interactions energy: -95.742
where: short stacking energy: -50.140
Base-Backbone interact. energy: -0.322
local terms energy: -68.004494
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -7.128
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: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -103.609390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.609390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.609390 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -40.175
Base-Backbone interact. energy: -0.018
local terms energy: -63.416495
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -95.420616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.420616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.420616 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -33.780
Base-Backbone interact. energy: 0.175
local terms energy: -58.469609
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -10.161
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: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -93.370151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370151 (E_RNA)
where:
Base-Base interactions energy: -45.825
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.753
local terms energy: -46.791702
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -7.620
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: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -93.313258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.313258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.313258 (E_RNA)
where:
Base-Base interactions energy: -48.826
where: short stacking energy: -34.657
Base-Backbone interact. energy: -0.126
local terms energy: -44.361770
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -239.329675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.329675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.329675 (E_RNA)
where:
Base-Base interactions energy: -161.875
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.415
local terms energy: -77.039138
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -206.290193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.290193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.290193 (E_RNA)
where:
Base-Base interactions energy: -131.051
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.042
local terms energy: -75.197711
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -202.765682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.765682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.765682 (E_RNA)
where:
Base-Base interactions energy: -127.750
where: short stacking energy: -60.816
Base-Backbone interact. energy: -0.076
local terms energy: -74.938860
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -16.000
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: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -197.346144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.346144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.346144 (E_RNA)
where:
Base-Base interactions energy: -114.650
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.014
local terms energy: -82.682780
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -21.649
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: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -198.355507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.355507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.355507 (E_RNA)
where:
Base-Base interactions energy: -126.679
where: short stacking energy: -48.500
Base-Backbone interact. energy: -0.061
local terms energy: -71.615390
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -9.404
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: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -184.858768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.858768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.858768 (E_RNA)
where:
Base-Base interactions energy: -112.198
where: short stacking energy: -48.733
Base-Backbone interact. energy: -1.085
local terms energy: -71.575754
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -99.841601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.841601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.841601 (E_RNA)
where:
Base-Base interactions energy: -55.051
where: short stacking energy: -39.778
Base-Backbone interact. energy: -0.072
local terms energy: -44.718244
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -2.683
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: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -94.340826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.340826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.340826 (E_RNA)
where:
Base-Base interactions energy: -43.712
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.122
local terms energy: -50.507345
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -2.434
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: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -94.521052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.521052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.521052 (E_RNA)
where:
Base-Base interactions energy: -30.152
where: short stacking energy: -29.159
Base-Backbone interact. energy: -0.014
local terms energy: -64.355029
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -79.540829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.540829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.540829 (E_RNA)
where:
Base-Base interactions energy: -29.191
where: short stacking energy: -26.683
Base-Backbone interact. energy: -0.292
local terms energy: -50.058356
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -240.722842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.722842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.722842 (E_RNA)
where:
Base-Base interactions energy: -160.086
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.238
local terms energy: -80.398537
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -17.808
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: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -223.170749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.170749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.170749 (E_RNA)
where:
Base-Base interactions energy: -141.520
where: short stacking energy: -77.041
Base-Backbone interact. energy: -0.624
local terms energy: -81.027086
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -212.872463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.872463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.872463 (E_RNA)
where:
Base-Base interactions energy: -132.717
where: short stacking energy: -67.503
Base-Backbone interact. energy: -0.009
local terms energy: -80.146145
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -17.847
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -186.348894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.348894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.348894 (E_RNA)
where:
Base-Base interactions energy: -121.608
where: short stacking energy: -68.410
Base-Backbone interact. energy: 0.803
local terms energy: -65.543752
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -187.777161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.777161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.777161 (E_RNA)
where:
Base-Base interactions energy: -114.995
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.060
local terms energy: -72.721746
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -13.355
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: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -161.568088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.568088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.568088 (E_RNA)
where:
Base-Base interactions energy: -89.332
where: short stacking energy: -46.434
Base-Backbone interact. energy: -0.321
local terms energy: -71.915414
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -8.170
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: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -103.216769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.216769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.216769 (E_RNA)
where:
Base-Base interactions energy: -40.545
where: short stacking energy: -35.843
Base-Backbone interact. energy: 1.238
local terms energy: -63.909966
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -99.321147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.321147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.321147 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.145
local terms energy: -54.257553
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -5.054
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: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -73.188658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.188658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.188658 (E_RNA)
where:
Base-Base interactions energy: -26.758
where: short stacking energy: -19.716
Base-Backbone interact. energy: -0.345
local terms energy: -46.085956
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -84.558284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.558284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.558284 (E_RNA)
where:
Base-Base interactions energy: -26.983
where: short stacking energy: -23.883
Base-Backbone interact. energy: -0.143
local terms energy: -57.431947
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -6.723
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: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -250.209225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.209225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.209225 (E_RNA)
where:
Base-Base interactions energy: -165.159
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.960
local terms energy: -84.090202
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -212.181598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.181598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.181598 (E_RNA)
where:
Base-Base interactions energy: -127.305
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.281
local terms energy: -84.596409
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -209.996446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.996446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.996446 (E_RNA)
where:
Base-Base interactions energy: -129.161
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.100
local terms energy: -80.736052
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -196.384995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.384995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.384995 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.093
local terms energy: -85.188378
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -23.371
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: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -199.998948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.998948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.998948 (E_RNA)
where:
Base-Base interactions energy: -129.011
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.108
local terms energy: -70.880175
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.152
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: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -162.410151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.410151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.410151 (E_RNA)
where:
Base-Base interactions energy: -97.961
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.149
local terms energy: -64.299612
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -96.484249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.484249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.484249 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.133
local terms energy: -56.315096
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -95.528953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.528953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.528953 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.051
local terms energy: -57.402334
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -88.029515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.029515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.029515 (E_RNA)
where:
Base-Base interactions energy: -32.489
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.173
local terms energy: -55.367513
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -80.044488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.044488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.044488 (E_RNA)
where:
Base-Base interactions energy: -27.652
where: short stacking energy: -27.652
Base-Backbone interact. energy: 0.350
local terms energy: -52.742504
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -247.187872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.187872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.187872 (E_RNA)
where:
Base-Base interactions energy: -163.950
where: short stacking energy: -81.905
Base-Backbone interact. energy: -0.370
local terms energy: -82.867866
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -208.566220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.566220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.566220 (E_RNA)
where:
Base-Base interactions energy: -141.715
where: short stacking energy: -61.745
Base-Backbone interact. energy: -0.108
local terms energy: -66.743744
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -209.530753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.530753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.530753 (E_RNA)
where:
Base-Base interactions energy: -136.820
where: short stacking energy: -74.817
Base-Backbone interact. energy: -0.080
local terms energy: -72.631601
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -20.466
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: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -189.175972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.175972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.175972 (E_RNA)
where:
Base-Base interactions energy: -110.368
where: short stacking energy: -53.965
Base-Backbone interact. energy: -0.056
local terms energy: -78.751810
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -207.668181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.668181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.668181 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -56.348
Base-Backbone interact. energy: -0.008
local terms energy: -65.003951
where:
bonds (distance) C4'-P energy: -7.463
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -168.132571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.132571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.132571 (E_RNA)
where:
Base-Base interactions energy: -109.627
where: short stacking energy: -64.916
Base-Backbone interact. energy: -0.007
local terms energy: -58.498015
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -7.408
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -108.660055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.660055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.660055 (E_RNA)
where:
Base-Base interactions energy: -50.602
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.165
local terms energy: -57.893092
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -3.643
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: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -86.395234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.395234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.395234 (E_RNA)
where:
Base-Base interactions energy: -32.550
where: short stacking energy: -25.086
Base-Backbone interact. energy: 0.565
local terms energy: -54.409648
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -9.513
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: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -87.146616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146616 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -30.769
Base-Backbone interact. energy: 1.318
local terms energy: -52.164733
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -89.744288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.744288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.744288 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -33.389
Base-Backbone interact. energy: 0.070
local terms energy: -51.680443
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -3.783
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: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -249.568760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.568760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.568760 (E_RNA)
where:
Base-Base interactions energy: -165.918
where: short stacking energy: -73.391
Base-Backbone interact. energy: -0.138
local terms energy: -83.512591
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -213.338941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.338941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.338941 (E_RNA)
where:
Base-Base interactions energy: -136.807
where: short stacking energy: -68.990
Base-Backbone interact. energy: -0.947
local terms energy: -75.585046
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -202.020795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.020795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.020795 (E_RNA)
where:
Base-Base interactions energy: -127.537
where: short stacking energy: -70.851
Base-Backbone interact. energy: -0.002
local terms energy: -74.481457
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -234.839062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.839062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.839062 (E_RNA)
where:
Base-Base interactions energy: -158.238
where: short stacking energy: -60.543
Base-Backbone interact. energy: -0.206
local terms energy: -76.395307
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -14.202
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: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -184.989245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.989245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.989245 (E_RNA)
where:
Base-Base interactions energy: -112.733
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.320
local terms energy: -71.935387
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -168.538726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.538726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.538726 (E_RNA)
where:
Base-Base interactions energy: -94.475
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.777
local terms energy: -73.286734
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -14.993
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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -104.098318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.098318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.098318 (E_RNA)
where:
Base-Base interactions energy: -44.222
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.130
local terms energy: -59.746455
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -104.472297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.472297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.472297 (E_RNA)
where:
Base-Base interactions energy: -55.238
where: short stacking energy: -31.453
Base-Backbone interact. energy: -0.361
local terms energy: -48.873432
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -93.469709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.469709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.469709 (E_RNA)
where:
Base-Base interactions energy: -33.396
where: short stacking energy: -28.155
Base-Backbone interact. energy: -0.156
local terms energy: -59.917788
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -4.806
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: 215
Temperature: 1.350000
Total energy: -90.584347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.584347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.584347 (E_RNA)
where:
Base-Base interactions energy: -44.243
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.049
local terms energy: -46.293150
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -244.122652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.122652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.122652 (E_RNA)
where:
Base-Base interactions energy: -161.574
where: short stacking energy: -77.458
Base-Backbone interact. energy: -0.257
local terms energy: -82.290926
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -221.476687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.476687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.476687 (E_RNA)
where:
Base-Base interactions energy: -144.014
where: short stacking energy: -79.447
Base-Backbone interact. energy: 0.151
local terms energy: -77.613453
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -22.488
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: 216
Temperature: 1.000000
Total energy: -241.885749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.885749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.885749 (E_RNA)
where:
Base-Base interactions energy: -177.407
where: short stacking energy: -68.304
Base-Backbone interact. energy: 2.754
local terms energy: -67.232597
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -18.896
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: 216
Temperature: 1.050000
Total energy: -192.929540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.929540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.929540 (E_RNA)
where:
Base-Base interactions energy: -114.950
where: short stacking energy: -72.081
Base-Backbone interact. energy: -0.002
local terms energy: -77.977354
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -188.559610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.559610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.559610 (E_RNA)
where:
Base-Base interactions energy: -130.495
where: short stacking energy: -46.895
Base-Backbone interact. energy: 1.331
local terms energy: -59.395032
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -166.813785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.813785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.813785 (E_RNA)
where:
Base-Base interactions energy: -102.704
where: short stacking energy: -49.630
Base-Backbone interact. energy: -1.816
local terms energy: -62.293497
where:
bonds (distance) C4'-P energy: -5.960
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -8.702
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: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -99.473468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.473468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.473468 (E_RNA)
where:
Base-Base interactions energy: -47.490
where: short stacking energy: -33.179
Base-Backbone interact. energy: -0.101
local terms energy: -51.882175
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -95.337463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.337463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.337463 (E_RNA)
where:
Base-Base interactions energy: -35.153
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.573
local terms energy: -59.611708
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -4.210
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: 216
Temperature: 1.300000
Total energy: -90.999834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.999834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.999834 (E_RNA)
where:
Base-Base interactions energy: -37.443
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.051
local terms energy: -53.505994
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -7.376
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -84.122749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.122749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.122749 (E_RNA)
where:
Base-Base interactions energy: -26.637
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.639
local terms energy: -56.846684
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -13.116
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: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -239.217366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.217366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.217366 (E_RNA)
where:
Base-Base interactions energy: -166.922
where: short stacking energy: -73.157
Base-Backbone interact. energy: -0.098
local terms energy: -72.197399
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -247.603210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.603210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.603210 (E_RNA)
where:
Base-Base interactions energy: -169.332
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.548
local terms energy: -77.723654
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -19.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -222.335935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.335935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.335935 (E_RNA)
where:
Base-Base interactions energy: -148.537
where: short stacking energy: -58.350
Base-Backbone interact. energy: 0.645
local terms energy: -74.444175
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -191.222063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.222063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.222063 (E_RNA)
where:
Base-Base interactions energy: -117.746
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.006
local terms energy: -73.469869
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -195.845103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.845103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.845103 (E_RNA)
where:
Base-Base interactions energy: -122.636
where: short stacking energy: -63.597
Base-Backbone interact. energy: -0.030
local terms energy: -73.178562
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -7.958
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: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -166.780832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.780832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.780832 (E_RNA)
where:
Base-Base interactions energy: -103.730
where: short stacking energy: -49.465
Base-Backbone interact. energy: -0.033
local terms energy: -63.018321
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -96.534142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.534142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.534142 (E_RNA)
where:
Base-Base interactions energy: -44.804
where: short stacking energy: -31.199
Base-Backbone interact. energy: -0.170
local terms energy: -51.560984
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -93.232010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.232010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.232010 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -20.390
Base-Backbone interact. energy: -0.843
local terms energy: -56.983971
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -106.808844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.808844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.808844 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -40.613
Base-Backbone interact. energy: -0.194
local terms energy: -66.001775
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -7.682
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: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -90.422705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.422705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.422705 (E_RNA)
where:
Base-Base interactions energy: -35.150
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.147
local terms energy: -55.125871
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -3.561
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -260.009700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.009700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.009700 (E_RNA)
where:
Base-Base interactions energy: -180.098
where: short stacking energy: -68.225
Base-Backbone interact. energy: 0.834
local terms energy: -80.745657
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -8.594
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: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -229.911082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911082 (E_RNA)
where:
Base-Base interactions energy: -152.762
where: short stacking energy: -63.520
Base-Backbone interact. energy: -0.601
local terms energy: -76.548154
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -16.518
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: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -226.792991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.792991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.792991 (E_RNA)
where:
Base-Base interactions energy: -160.541
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.283
local terms energy: -65.969292
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -198.578379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.578379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.578379 (E_RNA)
where:
Base-Base interactions energy: -122.970
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.001
local terms energy: -75.606595
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -190.592178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.592178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.592178 (E_RNA)
where:
Base-Base interactions energy: -111.691
where: short stacking energy: -53.862
Base-Backbone interact. energy: -0.280
local terms energy: -78.620524
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -12.940
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: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -180.951997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.951997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.951997 (E_RNA)
where:
Base-Base interactions energy: -114.973
where: short stacking energy: -52.148
Base-Backbone interact. energy: -0.120
local terms energy: -65.859673
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -11.020
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: 218
Temperature: 1.200000
Total energy: -104.609273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.609273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.609273 (E_RNA)
where:
Base-Base interactions energy: -46.289
where: short stacking energy: -45.953
Base-Backbone interact. energy: -0.143
local terms energy: -58.176866
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -11.670
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: 218
Temperature: 1.250000
Total energy: -97.933056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.933056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.933056 (E_RNA)
where:
Base-Base interactions energy: -40.065
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.114
local terms energy: -57.753874
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -92.506133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.506133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.506133 (E_RNA)
where:
Base-Base interactions energy: -32.152
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.006
local terms energy: -60.348655
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -82.542596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.542596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.542596 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -20.050
Base-Backbone interact. energy: -1.597
local terms energy: -54.498172
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -3.407
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: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -260.944064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.944064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.944064 (E_RNA)
where:
Base-Base interactions energy: -198.400
where: short stacking energy: -69.190
Base-Backbone interact. energy: 1.206
local terms energy: -63.749894
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -235.239239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.239239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.239239 (E_RNA)
where:
Base-Base interactions energy: -162.717
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.736
local terms energy: -71.786122
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -209.561333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.561333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.561333 (E_RNA)
where:
Base-Base interactions energy: -136.259
where: short stacking energy: -56.613
Base-Backbone interact. energy: -1.409
local terms energy: -71.893662
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -191.278971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.278971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.278971 (E_RNA)
where:
Base-Base interactions energy: -117.267
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.005
local terms energy: -74.006661
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -15.046
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: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -192.228102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.228102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.228102 (E_RNA)
where:
Base-Base interactions energy: -121.262
where: short stacking energy: -49.970
Base-Backbone interact. energy: 2.384
local terms energy: -73.350356
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.434
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: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -178.218063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.218063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.218063 (E_RNA)
where:
Base-Base interactions energy: -107.914
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.292
local terms energy: -70.012242
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -93.289884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.289884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.289884 (E_RNA)
where:
Base-Base interactions energy: -27.718
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.188
local terms energy: -65.384317
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -104.146238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.146238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.146238 (E_RNA)
where:
Base-Base interactions energy: -52.433
where: short stacking energy: -36.001
Base-Backbone interact. energy: 5.717
local terms energy: -57.430078
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -12.849
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: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -94.050995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.050995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.050995 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -34.926
Base-Backbone interact. energy: -0.224
local terms energy: -54.595580
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -81.332287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.332287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.332287 (E_RNA)
where:
Base-Base interactions energy: -28.612
where: short stacking energy: -28.612
Base-Backbone interact. energy: 0.443
local terms energy: -53.162761
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -5.906
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: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -261.727227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.727227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.727227 (E_RNA)
where:
Base-Base interactions energy: -191.243
where: short stacking energy: -56.560
Base-Backbone interact. energy: -0.185
local terms energy: -70.299144
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -236.951007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.951007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.951007 (E_RNA)
where:
Base-Base interactions energy: -149.814
where: short stacking energy: -68.540
Base-Backbone interact. energy: -0.201
local terms energy: -86.936085
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -193.403658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.403658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.403658 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -52.493
Base-Backbone interact. energy: 0.265
local terms energy: -77.783962
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -13.441
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: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -193.932645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.932645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.932645 (E_RNA)
where:
Base-Base interactions energy: -122.389
where: short stacking energy: -59.429
Base-Backbone interact. energy: -1.840
local terms energy: -69.703063
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -199.055797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.055797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.055797 (E_RNA)
where:
Base-Base interactions energy: -126.382
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.412
local terms energy: -72.261240
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -185.570357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.570357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.570357 (E_RNA)
where:
Base-Base interactions energy: -117.019
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.142
local terms energy: -68.409097
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -122.452394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.452394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.452394 (E_RNA)
where:
Base-Base interactions energy: -65.095
where: short stacking energy: -38.632
Base-Backbone interact. energy: -1.389
local terms energy: -55.968763
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -8.232
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: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -97.725738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.725738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.725738 (E_RNA)
where:
Base-Base interactions energy: -37.572
where: short stacking energy: -36.913
Base-Backbone interact. energy: -0.680
local terms energy: -59.473704
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -91.650854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.650854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.650854 (E_RNA)
where:
Base-Base interactions energy: -36.257
where: short stacking energy: -23.236
Base-Backbone interact. energy: -0.718
local terms energy: -54.676054
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -91.995113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.995113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.995113 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.486
local terms energy: -54.216022
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -251.354478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.354478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.354478 (E_RNA)
where:
Base-Base interactions energy: -175.604
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.096
local terms energy: -75.654204
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -7.833
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: 221
Temperature: 0.950000
Total energy: -201.085796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.085796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.085796 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.002
local terms energy: -84.186894
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -236.719788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.719788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.719788 (E_RNA)
where:
Base-Base interactions energy: -166.891
where: short stacking energy: -72.655
Base-Backbone interact. energy: -0.188
local terms energy: -69.640877
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -215.147643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147643 (E_RNA)
where:
Base-Base interactions energy: -137.802
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.873
local terms energy: -76.472306
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.204
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: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -192.159325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.159325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.159325 (E_RNA)
where:
Base-Base interactions energy: -119.838
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.105
local terms energy: -72.216359
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -14.186
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: 221
Temperature: 1.150000
Total energy: -186.153091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.153091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.153091 (E_RNA)
where:
Base-Base interactions energy: -114.402
where: short stacking energy: -67.604
Base-Backbone interact. energy: -0.061
local terms energy: -71.690206
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -93.647410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.647410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.647410 (E_RNA)
where:
Base-Base interactions energy: -34.637
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.151
local terms energy: -58.859390
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -2.640
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: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -114.630648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.630648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.630648 (E_RNA)
where:
Base-Base interactions energy: -66.014
where: short stacking energy: -32.030
Base-Backbone interact. energy: -1.517
local terms energy: -47.098832
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -0.561
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: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -85.582860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.582860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.582860 (E_RNA)
where:
Base-Base interactions energy: -31.512
where: short stacking energy: -29.158
Base-Backbone interact. energy: -1.013
local terms energy: -53.057235
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -93.935975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.935975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.935975 (E_RNA)
where:
Base-Base interactions energy: -43.403
where: short stacking energy: -23.953
Base-Backbone interact. energy: -0.166
local terms energy: -50.366923
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -264.051207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.051207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.051207 (E_RNA)
where:
Base-Base interactions energy: -182.210
where: short stacking energy: -67.041
Base-Backbone interact. energy: -0.041
local terms energy: -81.800489
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -197.684496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.684496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.684496 (E_RNA)
where:
Base-Base interactions energy: -115.648
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.194
local terms energy: -81.841979
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -236.878013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.878013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.878013 (E_RNA)
where:
Base-Base interactions energy: -160.802
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.344
local terms energy: -75.731807
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -187.448293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.448293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.448293 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -52.251
Base-Backbone interact. energy: -0.782
local terms energy: -71.174414
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -202.076397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.076397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.076397 (E_RNA)
where:
Base-Base interactions energy: -124.287
where: short stacking energy: -65.430
Base-Backbone interact. energy: -0.302
local terms energy: -77.487989
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -196.233536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.233536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.233536 (E_RNA)
where:
Base-Base interactions energy: -119.997
where: short stacking energy: -63.495
Base-Backbone interact. energy: 2.076
local terms energy: -78.312246
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -99.299991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.299991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.299991 (E_RNA)
where:
Base-Base interactions energy: -36.720
where: short stacking energy: -36.313
Base-Backbone interact. energy: 2.170
local terms energy: -64.749764
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -84.284923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.284923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.284923 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.588
local terms energy: -56.186332
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -87.356981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.356981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.356981 (E_RNA)
where:
Base-Base interactions energy: -39.938
where: short stacking energy: -32.819
Base-Backbone interact. energy: -0.146
local terms energy: -47.272895
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -6.642
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -8.816
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: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -82.353184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.353184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.353184 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -24.562
Base-Backbone interact. energy: -1.059
local terms energy: -47.131370
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -7.733
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -11.460
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: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -256.957407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.957407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.957407 (E_RNA)
where:
Base-Base interactions energy: -171.364
where: short stacking energy: -69.430
Base-Backbone interact. energy: -0.930
local terms energy: -84.663127
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -11.876
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: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -238.677581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.677581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.677581 (E_RNA)
where:
Base-Base interactions energy: -165.623
where: short stacking energy: -61.357
Base-Backbone interact. energy: 0.071
local terms energy: -73.125290
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -199.640582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.640582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.640582 (E_RNA)
where:
Base-Base interactions energy: -127.633
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.478
local terms energy: -71.529888
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -14.816
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: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -199.895107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.895107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.895107 (E_RNA)
where:
Base-Base interactions energy: -123.228
where: short stacking energy: -59.057
Base-Backbone interact. energy: -1.318
local terms energy: -75.348757
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -180.525473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.525473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.525473 (E_RNA)
where:
Base-Base interactions energy: -112.143
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.113
local terms energy: -68.268739
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -174.375295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.375295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.375295 (E_RNA)
where:
Base-Base interactions energy: -102.093
where: short stacking energy: -50.613
Base-Backbone interact. energy: -0.060
local terms energy: -72.222544
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -108.690338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.690338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.690338 (E_RNA)
where:
Base-Base interactions energy: -50.154
where: short stacking energy: -46.989
Base-Backbone interact. energy: -0.193
local terms energy: -58.343426
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -8.978
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: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -101.670841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.670841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.670841 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.004
local terms energy: -65.503179
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -96.098864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.098864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.098864 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.039
local terms energy: -58.437543
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -86.941366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.941366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.941366 (E_RNA)
where:
Base-Base interactions energy: -29.898
where: short stacking energy: -29.533
Base-Backbone interact. energy: 0.224
local terms energy: -57.267984
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -2.342
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: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -251.936936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.936936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.936936 (E_RNA)
where:
Base-Base interactions energy: -174.716
where: short stacking energy: -59.516
Base-Backbone interact. energy: 0.196
local terms energy: -77.417011
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -237.979766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.979766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.979766 (E_RNA)
where:
Base-Base interactions energy: -156.256
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.571
local terms energy: -81.152745
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -13.545
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: 224
Temperature: 1.000000
Total energy: -205.582121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.582121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.582121 (E_RNA)
where:
Base-Base interactions energy: -130.125
where: short stacking energy: -55.217
Base-Backbone interact. energy: -0.167
local terms energy: -75.290498
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -195.934963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.934963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.934963 (E_RNA)
where:
Base-Base interactions energy: -118.846
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.008
local terms energy: -77.080760
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -185.142513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.142513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.142513 (E_RNA)
where:
Base-Base interactions energy: -115.243
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.046
local terms energy: -69.853103
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -176.212032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.212032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.212032 (E_RNA)
where:
Base-Base interactions energy: -107.194
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.068
local terms energy: -68.949966
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -99.898810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.898810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.898810 (E_RNA)
where:
Base-Base interactions energy: -42.700
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.103
local terms energy: -57.095403
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -87.478694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.478694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.478694 (E_RNA)
where:
Base-Base interactions energy: -35.090
where: short stacking energy: -32.102
Base-Backbone interact. energy: -0.509
local terms energy: -51.879621
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -98.053607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.053607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.053607 (E_RNA)
where:
Base-Base interactions energy: -39.560
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.111
local terms energy: -58.383144
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -89.713624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.713624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.713624 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -28.366
Base-Backbone interact. energy: -1.162
local terms energy: -45.959240
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -255.547432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.547432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.547432 (E_RNA)
where:
Base-Base interactions energy: -175.666
where: short stacking energy: -70.128
Base-Backbone interact. energy: 0.344
local terms energy: -80.224609
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -244.491603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.491603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.491603 (E_RNA)
where:
Base-Base interactions energy: -171.812
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.291
local terms energy: -72.388676
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -9.024
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: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -196.927798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.927798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.927798 (E_RNA)
where:
Base-Base interactions energy: -121.340
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.077
local terms energy: -75.511339
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -196.494076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.494076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494076 (E_RNA)
where:
Base-Base interactions energy: -124.153
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.124
local terms energy: -72.216942
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -20.749
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -197.749150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.749150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.749150 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -65.860
Base-Backbone interact. energy: -0.020
local terms energy: -72.681160
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -161.174310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.174310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.174310 (E_RNA)
where:
Base-Base interactions energy: -97.010
where: short stacking energy: -43.453
Base-Backbone interact. energy: -0.058
local terms energy: -64.106142
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -12.377
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: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -87.805466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805466 (E_RNA)
where:
Base-Base interactions energy: -32.367
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.198
local terms energy: -55.241134
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -114.732686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.732686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.732686 (E_RNA)
where:
Base-Base interactions energy: -68.241
where: short stacking energy: -36.982
Base-Backbone interact. energy: -0.412
local terms energy: -46.079698
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -93.780587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.780587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.780587 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -33.157
Base-Backbone interact. energy: -0.623
local terms energy: -50.619989
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -11.656
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: 225
Temperature: 1.350000
Total energy: -92.535247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.535247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.535247 (E_RNA)
where:
Base-Base interactions energy: -38.770
where: short stacking energy: -23.106
Base-Backbone interact. energy: -0.186
local terms energy: -53.580048
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -6.142
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: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -248.290005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.290005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.290005 (E_RNA)
where:
Base-Base interactions energy: -173.459
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.273
local terms energy: -74.557121
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -247.231769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.231769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.231769 (E_RNA)
where:
Base-Base interactions energy: -171.501
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.158
local terms energy: -75.573144
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -218.522549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.522549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.522549 (E_RNA)
where:
Base-Base interactions energy: -138.426
where: short stacking energy: -76.244
Base-Backbone interact. energy: -0.309
local terms energy: -79.787036
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -183.912236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.912236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.912236 (E_RNA)
where:
Base-Base interactions energy: -110.476
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.080
local terms energy: -73.356662
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -9.849
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: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -196.026047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.026047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.026047 (E_RNA)
where:
Base-Base interactions energy: -124.266
where: short stacking energy: -54.149
Base-Backbone interact. energy: -0.007
local terms energy: -71.753569
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -13.700
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: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -169.989728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.989728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.989728 (E_RNA)
where:
Base-Base interactions energy: -105.314
where: short stacking energy: -53.845
Base-Backbone interact. energy: -0.058
local terms energy: -64.616965
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -10.150
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: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -138.670991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.670991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.670991 (E_RNA)
where:
Base-Base interactions energy: -77.507
where: short stacking energy: -50.607
Base-Backbone interact. energy: -0.035
local terms energy: -61.129469
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -11.702
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: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -98.509598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.509598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.509598 (E_RNA)
where:
Base-Base interactions energy: -36.925
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.060
local terms energy: -61.525533
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -9.075
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: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -93.209807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209807 (E_RNA)
where:
Base-Base interactions energy: -40.696
where: short stacking energy: -40.515
Base-Backbone interact. energy: -0.091
local terms energy: -52.422296
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -89.278344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.278344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.278344 (E_RNA)
where:
Base-Base interactions energy: -41.754
where: short stacking energy: -28.885
Base-Backbone interact. energy: -0.028
local terms energy: -47.496313
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -240.707957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.707957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.707957 (E_RNA)
where:
Base-Base interactions energy: -162.481
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.564
local terms energy: -77.662800
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -13.755
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: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -255.507975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.507975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.507975 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -71.457
Base-Backbone interact. energy: -0.073
local terms energy: -81.141718
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -17.751
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: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -193.906609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.906609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.906609 (E_RNA)
where:
Base-Base interactions energy: -116.235
where: short stacking energy: -68.412
Base-Backbone interact. energy: -0.043
local terms energy: -77.629013
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -12.402
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -202.360305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.360305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.360305 (E_RNA)
where:
Base-Base interactions energy: -129.867
where: short stacking energy: -44.801
Base-Backbone interact. energy: -0.461
local terms energy: -72.031764
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -183.805423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.805423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.805423 (E_RNA)
where:
Base-Base interactions energy: -116.926
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.283
local terms energy: -66.596257
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -11.082
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: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -165.832573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.832573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.832573 (E_RNA)
where:
Base-Base interactions energy: -107.337
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.008
local terms energy: -58.487502
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: 0.587
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -164.285334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.285334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.285334 (E_RNA)
where:
Base-Base interactions energy: -102.859
where: short stacking energy: -49.829
Base-Backbone interact. energy: -0.137
local terms energy: -61.288703
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -13.619
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: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -90.264875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.264875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.264875 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -25.947
Base-Backbone interact. energy: 0.427
local terms energy: -49.261071
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -101.198206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.198206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.198206 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.510
local terms energy: -55.984985
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -106.559844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.559844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.559844 (E_RNA)
where:
Base-Base interactions energy: -50.604
where: short stacking energy: -34.273
Base-Backbone interact. energy: -0.145
local terms energy: -55.810539
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -251.067139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.067139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.067139 (E_RNA)
where:
Base-Base interactions energy: -173.068
where: short stacking energy: -72.563
Base-Backbone interact. energy: -0.020
local terms energy: -77.979499
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -236.371319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.371319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.371319 (E_RNA)
where:
Base-Base interactions energy: -157.441
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.263
local terms energy: -78.667153
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -214.150363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.150363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.150363 (E_RNA)
where:
Base-Base interactions energy: -138.289
where: short stacking energy: -64.467
Base-Backbone interact. energy: -0.005
local terms energy: -75.856451
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -187.489452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.489452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.489452 (E_RNA)
where:
Base-Base interactions energy: -109.138
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.024
local terms energy: -78.327951
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -14.186
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: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -167.183950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.183950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.183950 (E_RNA)
where:
Base-Base interactions energy: -97.577
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.104
local terms energy: -69.502954
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -174.299901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.299901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.299901 (E_RNA)
where:
Base-Base interactions energy: -108.061
where: short stacking energy: -54.001
Base-Backbone interact. energy: -0.011
local terms energy: -66.228628
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -139.008267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.008267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.008267 (E_RNA)
where:
Base-Base interactions energy: -75.336
where: short stacking energy: -44.436
Base-Backbone interact. energy: -0.092
local terms energy: -63.580432
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -96.916973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.916973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.916973 (E_RNA)
where:
Base-Base interactions energy: -49.670
where: short stacking energy: -40.605
Base-Backbone interact. energy: -1.039
local terms energy: -46.208562
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -105.072168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.072168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.072168 (E_RNA)
where:
Base-Base interactions energy: -48.018
where: short stacking energy: -30.045
Base-Backbone interact. energy: -0.190
local terms energy: -56.864261
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -76.628927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.628927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.628927 (E_RNA)
where:
Base-Base interactions energy: -31.498
where: short stacking energy: -27.065
Base-Backbone interact. energy: 0.314
local terms energy: -45.445208
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -256.023925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.023925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.023925 (E_RNA)
where:
Base-Base interactions energy: -180.623
where: short stacking energy: -76.038
Base-Backbone interact. energy: -0.169
local terms energy: -75.231660
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -247.663561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.663561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.663561 (E_RNA)
where:
Base-Base interactions energy: -170.272
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.282
local terms energy: -77.109185
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -203.835903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.835903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.835903 (E_RNA)
where:
Base-Base interactions energy: -133.481
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.116
local terms energy: -70.238790
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -12.701
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: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -193.872084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.872084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.872084 (E_RNA)
where:
Base-Base interactions energy: -121.142
where: short stacking energy: -62.703
Base-Backbone interact. energy: 0.117
local terms energy: -72.846951
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -179.719914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.719914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.719914 (E_RNA)
where:
Base-Base interactions energy: -108.643
where: short stacking energy: -53.840
Base-Backbone interact. energy: -1.031
local terms energy: -70.045911
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -171.878137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.878137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.878137 (E_RNA)
where:
Base-Base interactions energy: -101.482
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.092
local terms energy: -70.303577
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -154.667412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.667412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.667412 (E_RNA)
where:
Base-Base interactions energy: -92.648
where: short stacking energy: -46.526
Base-Backbone interact. energy: -0.441
local terms energy: -61.577898
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.162
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: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -113.859113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.859113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.859113 (E_RNA)
where:
Base-Base interactions energy: -55.383
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.285
local terms energy: -58.191103
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: 2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -87.237990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.237990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.237990 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -31.318
Base-Backbone interact. energy: 0.379
local terms energy: -56.298237
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.454
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: 229
Temperature: 1.350000
Total energy: -95.203772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.203772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.203772 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -39.749
Base-Backbone interact. energy: -0.129
local terms energy: -55.325699
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -4.991
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: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -255.343085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.343085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.343085 (E_RNA)
where:
Base-Base interactions energy: -177.949
where: short stacking energy: -72.228
Base-Backbone interact. energy: 1.095
local terms energy: -78.488925
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -243.616128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.616128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.616128 (E_RNA)
where:
Base-Base interactions energy: -163.008
where: short stacking energy: -73.392
Base-Backbone interact. energy: -0.271
local terms energy: -80.336977
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -218.443570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.443570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.443570 (E_RNA)
where:
Base-Base interactions energy: -142.947
where: short stacking energy: -61.030
Base-Backbone interact. energy: -1.711
local terms energy: -73.785685
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -200.442262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.442262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.442262 (E_RNA)
where:
Base-Base interactions energy: -126.432
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.001
local terms energy: -74.009401
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -199.283660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.283660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.283660 (E_RNA)
where:
Base-Base interactions energy: -122.343
where: short stacking energy: -62.167
Base-Backbone interact. energy: -0.042
local terms energy: -76.899039
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -173.697782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.697782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.697782 (E_RNA)
where:
Base-Base interactions energy: -108.028
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.105
local terms energy: -65.564635
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -176.669178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.669178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.669178 (E_RNA)
where:
Base-Base interactions energy: -108.733
where: short stacking energy: -57.077
Base-Backbone interact. energy: -0.075
local terms energy: -67.860656
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.653
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: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -92.067355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.067355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.067355 (E_RNA)
where:
Base-Base interactions energy: -39.371
where: short stacking energy: -24.496
Base-Backbone interact. energy: -0.293
local terms energy: -52.403426
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -9.437
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: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -125.083875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.083875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.083875 (E_RNA)
where:
Base-Base interactions energy: -68.326
where: short stacking energy: -30.930
Base-Backbone interact. energy: -2.057
local terms energy: -54.701526
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -86.192408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.192408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.192408 (E_RNA)
where:
Base-Base interactions energy: -41.683
where: short stacking energy: -34.336
Base-Backbone interact. energy: -0.879
local terms energy: -43.631051
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -8.448
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: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -256.599202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.599202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.599202 (E_RNA)
where:
Base-Base interactions energy: -178.008
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.088
local terms energy: -78.503582
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -238.557760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.557760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.557760 (E_RNA)
where:
Base-Base interactions energy: -163.227
where: short stacking energy: -68.676
Base-Backbone interact. energy: -1.452
local terms energy: -73.878232
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -7.191
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: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -212.594583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.594583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.594583 (E_RNA)
where:
Base-Base interactions energy: -142.957
where: short stacking energy: -65.743
Base-Backbone interact. energy: -1.657
local terms energy: -67.980453
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -188.503656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.503656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.503656 (E_RNA)
where:
Base-Base interactions energy: -114.731
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.211
local terms energy: -73.561499
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -181.891425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.891425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.891425 (E_RNA)
where:
Base-Base interactions energy: -113.678
where: short stacking energy: -54.661
Base-Backbone interact. energy: -0.215
local terms energy: -67.998892
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -174.524319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.524319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.524319 (E_RNA)
where:
Base-Base interactions energy: -109.000
where: short stacking energy: -50.097
Base-Backbone interact. energy: -0.080
local terms energy: -65.444652
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -160.973837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.973837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.973837 (E_RNA)
where:
Base-Base interactions energy: -98.389
where: short stacking energy: -51.502
Base-Backbone interact. energy: -0.031
local terms energy: -62.553403
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -95.398379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.398379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.398379 (E_RNA)
where:
Base-Base interactions energy: -33.516
where: short stacking energy: -30.788
Base-Backbone interact. energy: -0.138
local terms energy: -61.743731
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -4.541
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: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -93.469619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.469619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.469619 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.249
local terms energy: -51.524544
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -79.726958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.726958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.726958 (E_RNA)
where:
Base-Base interactions energy: -29.444
where: short stacking energy: -29.032
Base-Backbone interact. energy: 1.139
local terms energy: -51.422220
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -251.602474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.602474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.602474 (E_RNA)
where:
Base-Base interactions energy: -170.242
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.091
local terms energy: -81.269597
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -236.483565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.483565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.483565 (E_RNA)
where:
Base-Base interactions energy: -160.056
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.168
local terms energy: -76.259670
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -206.767185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.767185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.767185 (E_RNA)
where:
Base-Base interactions energy: -131.367
where: short stacking energy: -71.211
Base-Backbone interact. energy: -0.141
local terms energy: -75.259184
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -194.240219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.240219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.240219 (E_RNA)
where:
Base-Base interactions energy: -122.844
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.019
local terms energy: -71.377993
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -195.676065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.676065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.676065 (E_RNA)
where:
Base-Base interactions energy: -124.870
where: short stacking energy: -59.557
Base-Backbone interact. energy: -0.233
local terms energy: -70.573170
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -166.168570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.168570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.168570 (E_RNA)
where:
Base-Base interactions energy: -98.745
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.099
local terms energy: -67.323964
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -8.748
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: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -173.039834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.039834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.039834 (E_RNA)
where:
Base-Base interactions energy: -101.679
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.458
local terms energy: -70.902859
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -105.726294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726294 (E_RNA)
where:
Base-Base interactions energy: -46.547
where: short stacking energy: -46.547
Base-Backbone interact. energy: -0.179
local terms energy: -59.000848
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -91.841564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.841564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.841564 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.134
local terms energy: -56.704706
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -8.437
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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -82.493973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.493973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.493973 (E_RNA)
where:
Base-Base interactions energy: -35.182
where: short stacking energy: -34.150
Base-Backbone interact. energy: 1.084
local terms energy: -48.396415
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -259.302838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.302838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.302838 (E_RNA)
where:
Base-Base interactions energy: -180.660
where: short stacking energy: -71.099
Base-Backbone interact. energy: -0.174
local terms energy: -78.469442
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -235.597329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.597329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.597329 (E_RNA)
where:
Base-Base interactions energy: -158.123
where: short stacking energy: -66.173
Base-Backbone interact. energy: 0.462
local terms energy: -77.935978
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.743
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: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -207.949839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.949839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.949839 (E_RNA)
where:
Base-Base interactions energy: -138.322
where: short stacking energy: -70.677
Base-Backbone interact. energy: -0.019
local terms energy: -69.608413
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -207.657628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.657628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.657628 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -57.508
Base-Backbone interact. energy: -0.236
local terms energy: -67.632695
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -179.839741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839741 (E_RNA)
where:
Base-Base interactions energy: -112.392
where: short stacking energy: -58.839
Base-Backbone interact. energy: 0.399
local terms energy: -67.846840
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -12.901
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: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -186.277114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.277114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.277114 (E_RNA)
where:
Base-Base interactions energy: -112.851
where: short stacking energy: -52.552
Base-Backbone interact. energy: -0.001
local terms energy: -73.424553
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -150.542393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.542393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.542393 (E_RNA)
where:
Base-Base interactions energy: -93.598
where: short stacking energy: -32.841
Base-Backbone interact. energy: -0.250
local terms energy: -56.694082
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -103.261532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.261532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.261532 (E_RNA)
where:
Base-Base interactions energy: -48.006
where: short stacking energy: -46.591
Base-Backbone interact. energy: -0.101
local terms energy: -55.154764
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -132.526721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.526721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.526721 (E_RNA)
where:
Base-Base interactions energy: -78.540
where: short stacking energy: -43.035
Base-Backbone interact. energy: 1.259
local terms energy: -55.245442
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -4.498
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: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -79.653110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.653110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.653110 (E_RNA)
where:
Base-Base interactions energy: -24.354
where: short stacking energy: -24.670
Base-Backbone interact. energy: 0.576
local terms energy: -55.874572
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.095
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: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -256.015605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.015605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.015605 (E_RNA)
where:
Base-Base interactions energy: -171.673
where: short stacking energy: -74.709
Base-Backbone interact. energy: -0.033
local terms energy: -84.310345
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -239.488124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.488124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.488124 (E_RNA)
where:
Base-Base interactions energy: -157.927
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.867
local terms energy: -80.694877
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -210.760407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760407 (E_RNA)
where:
Base-Base interactions energy: -138.466
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.032
local terms energy: -72.262250
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -11.122
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: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -200.784623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.784623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.784623 (E_RNA)
where:
Base-Base interactions energy: -126.480
where: short stacking energy: -72.447
Base-Backbone interact. energy: -0.025
local terms energy: -74.279380
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -187.767438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.767438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.767438 (E_RNA)
where:
Base-Base interactions energy: -114.844
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.082
local terms energy: -72.842138
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -181.391196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.391196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.391196 (E_RNA)
where:
Base-Base interactions energy: -114.945
where: short stacking energy: -55.287
Base-Backbone interact. energy: -0.126
local terms energy: -66.319911
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -174.847670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.847670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.847670 (E_RNA)
where:
Base-Base interactions energy: -110.873
where: short stacking energy: -54.615
Base-Backbone interact. energy: -0.708
local terms energy: -63.266181
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -15.097
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: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -96.051157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.051157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.051157 (E_RNA)
where:
Base-Base interactions energy: -35.457
where: short stacking energy: -35.457
Base-Backbone interact. energy: -0.185
local terms energy: -60.409783
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -83.194839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.194839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.194839 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -30.545
Base-Backbone interact. energy: -0.347
local terms energy: -48.690245
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.770
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: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -81.014105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.014105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.014105 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -27.206
Base-Backbone interact. energy: 0.279
local terms energy: -49.540957
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -259.538817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.538817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.538817 (E_RNA)
where:
Base-Base interactions energy: -175.576
where: short stacking energy: -70.615
Base-Backbone interact. energy: -0.158
local terms energy: -83.805058
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -10.649
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: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -205.385380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.385380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.385380 (E_RNA)
where:
Base-Base interactions energy: -129.279
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.116
local terms energy: -75.990259
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -236.798306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.798306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.798306 (E_RNA)
where:
Base-Base interactions energy: -163.086
where: short stacking energy: -65.465
Base-Backbone interact. energy: -0.282
local terms energy: -73.431150
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -191.608187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.608187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.608187 (E_RNA)
where:
Base-Base interactions energy: -121.797
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.609
local terms energy: -69.202968
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -189.283712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.283712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.283712 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -55.023
Base-Backbone interact. energy: -1.187
local terms energy: -70.695887
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -180.774412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.774412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.774412 (E_RNA)
where:
Base-Base interactions energy: -117.452
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.054
local terms energy: -63.268531
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -10.758
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: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -169.792173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.792173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.792173 (E_RNA)
where:
Base-Base interactions energy: -106.298
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.093
local terms energy: -63.400981
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -10.469
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: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -91.697554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.697554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.697554 (E_RNA)
where:
Base-Base interactions energy: -42.296
where: short stacking energy: -41.331
Base-Backbone interact. energy: -0.224
local terms energy: -49.176943
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -102.018728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018728 (E_RNA)
where:
Base-Base interactions energy: -42.951
where: short stacking energy: -38.939
Base-Backbone interact. energy: 0.604
local terms energy: -59.672496
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -9.572
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: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -87.150850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.150850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.150850 (E_RNA)
where:
Base-Base interactions energy: -40.074
where: short stacking energy: -36.226
Base-Backbone interact. energy: -0.220
local terms energy: -46.856705
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -254.437662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.437662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.437662 (E_RNA)
where:
Base-Base interactions energy: -182.003
where: short stacking energy: -76.743
Base-Backbone interact. energy: -0.074
local terms energy: -72.360848
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -10.860
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: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -207.420564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.420564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.420564 (E_RNA)
where:
Base-Base interactions energy: -133.687
where: short stacking energy: -56.671
Base-Backbone interact. energy: -0.055
local terms energy: -73.678137
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -196.331928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.331928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.331928 (E_RNA)
where:
Base-Base interactions energy: -118.172
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.600
local terms energy: -77.560581
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -226.156777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.156777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.156777 (E_RNA)
where:
Base-Base interactions energy: -149.256
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.218
local terms energy: -76.682752
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -190.197280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.197280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.197280 (E_RNA)
where:
Base-Base interactions energy: -119.578
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.003
local terms energy: -70.616800
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -166.850014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.850014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.850014 (E_RNA)
where:
Base-Base interactions energy: -101.380
where: short stacking energy: -59.295
Base-Backbone interact. energy: -0.133
local terms energy: -65.337359
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -12.412
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: 236
Temperature: 1.200000
Total energy: -176.337564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.337564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.337564 (E_RNA)
where:
Base-Base interactions energy: -115.751
where: short stacking energy: -59.484
Base-Backbone interact. energy: 0.336
local terms energy: -60.922535
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -12.573
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: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -91.956578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.956578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.956578 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -31.473
Base-Backbone interact. energy: -0.422
local terms energy: -54.346954
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -100.555370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.555370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.555370 (E_RNA)
where:
Base-Base interactions energy: -56.900
where: short stacking energy: -27.480
Base-Backbone interact. energy: -0.534
local terms energy: -43.120707
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.337
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -94.437513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.437513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.437513 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -29.195
Base-Backbone interact. energy: -0.098
local terms energy: -57.678746
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -246.838920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.838920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.838920 (E_RNA)
where:
Base-Base interactions energy: -156.468
where: short stacking energy: -73.963
Base-Backbone interact. energy: -1.750
local terms energy: -88.621226
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -22.993
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: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -204.824172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.824172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824172 (E_RNA)
where:
Base-Base interactions energy: -130.132
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.041
local terms energy: -74.650828
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -206.442796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.442796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.442796 (E_RNA)
where:
Base-Base interactions energy: -129.233
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.019
local terms energy: -77.190812
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -10.371
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: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -223.862922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.862922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.862922 (E_RNA)
where:
Base-Base interactions energy: -147.639
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.128
local terms energy: -76.096065
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -190.090819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.090819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.090819 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -59.528
Base-Backbone interact. energy: 0.086
local terms energy: -66.667700
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -13.016
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -185.889650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.889650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.889650 (E_RNA)
where:
Base-Base interactions energy: -117.491
where: short stacking energy: -70.149
Base-Backbone interact. energy: -0.030
local terms energy: -68.368013
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -150.884622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.884622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.884622 (E_RNA)
where:
Base-Base interactions energy: -84.365
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.500
local terms energy: -66.020064
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -122.122975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.122975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.122975 (E_RNA)
where:
Base-Base interactions energy: -70.042
where: short stacking energy: -40.492
Base-Backbone interact. energy: -1.948
local terms energy: -50.133603
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -1.903
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: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -80.808760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.808760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.808760 (E_RNA)
where:
Base-Base interactions energy: -31.230
where: short stacking energy: -25.437
Base-Backbone interact. energy: 0.084
local terms energy: -49.663216
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.159
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: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -88.993515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.993515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.993515 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -35.174
Base-Backbone interact. energy: -0.275
local terms energy: -45.037758
where:
bonds (distance) C4'-P energy: -4.005
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -256.244761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.244761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.244761 (E_RNA)
where:
Base-Base interactions energy: -177.251
where: short stacking energy: -77.800
Base-Backbone interact. energy: 0.169
local terms energy: -79.163039
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -204.765082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.765082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.765082 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -66.178
Base-Backbone interact. energy: -0.219
local terms energy: -77.321429
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -233.443058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.443058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.443058 (E_RNA)
where:
Base-Base interactions energy: -153.475
where: short stacking energy: -73.892
Base-Backbone interact. energy: -0.868
local terms energy: -79.100226
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -205.871806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.871806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.871806 (E_RNA)
where:
Base-Base interactions energy: -122.091
where: short stacking energy: -69.151
Base-Backbone interact. energy: -0.001
local terms energy: -83.780326
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -184.455220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.455220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.455220 (E_RNA)
where:
Base-Base interactions energy: -116.380
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.564
local terms energy: -67.511409
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -180.680103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.680103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.680103 (E_RNA)
where:
Base-Base interactions energy: -113.983
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.013
local terms energy: -66.684999
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -132.451004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.451004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.451004 (E_RNA)
where:
Base-Base interactions energy: -84.463
where: short stacking energy: -43.909
Base-Backbone interact. energy: -0.117
local terms energy: -47.870063
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -98.382999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.382999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.382999 (E_RNA)
where:
Base-Base interactions energy: -45.710
where: short stacking energy: -37.129
Base-Backbone interact. energy: -0.527
local terms energy: -52.145801
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.192
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -92.779001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.779001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.779001 (E_RNA)
where:
Base-Base interactions energy: -47.116
where: short stacking energy: -33.799
Base-Backbone interact. energy: -0.016
local terms energy: -45.647129
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -5.936
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: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -83.902040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.902040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.902040 (E_RNA)
where:
Base-Base interactions energy: -32.311
where: short stacking energy: -28.686
Base-Backbone interact. energy: -0.935
local terms energy: -50.656373
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -260.818384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.818384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.818384 (E_RNA)
where:
Base-Base interactions energy: -177.800
where: short stacking energy: -71.554
Base-Backbone interact. energy: 1.033
local terms energy: -84.050680
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -231.536326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.536326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.536326 (E_RNA)
where:
Base-Base interactions energy: -153.254
where: short stacking energy: -70.026
Base-Backbone interact. energy: 0.730
local terms energy: -79.012375
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -18.194
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: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -200.204226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.204226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.204226 (E_RNA)
where:
Base-Base interactions energy: -125.480
where: short stacking energy: -64.966
Base-Backbone interact. energy: -0.249
local terms energy: -74.474937
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -12.263
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: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -201.359318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.359318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.359318 (E_RNA)
where:
Base-Base interactions energy: -129.251
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.007
local terms energy: -72.101085
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -184.344928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.344928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.344928 (E_RNA)
where:
Base-Base interactions energy: -114.548
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.010
local terms energy: -69.786791
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.234
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: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -180.215232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215232 (E_RNA)
where:
Base-Base interactions energy: -111.820
where: short stacking energy: -62.338
Base-Backbone interact. energy: -0.629
local terms energy: -67.766354
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.916
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: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -99.751380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.751380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.751380 (E_RNA)
where:
Base-Base interactions energy: -39.211
where: short stacking energy: -34.173
Base-Backbone interact. energy: -0.211
local terms energy: -60.329073
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -92.828993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.828993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.828993 (E_RNA)
where:
Base-Base interactions energy: -37.770
where: short stacking energy: -24.182
Base-Backbone interact. energy: 1.599
local terms energy: -56.657657
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -10.896
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: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -85.623707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.623707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.623707 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -28.453
Base-Backbone interact. energy: -0.179
local terms energy: -56.992128
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -6.051
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: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -81.884554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.884554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.884554 (E_RNA)
where:
Base-Base interactions energy: -32.468
where: short stacking energy: -23.668
Base-Backbone interact. energy: -1.032
local terms energy: -48.383884
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: 6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -256.863729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.863729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.863729 (E_RNA)
where:
Base-Base interactions energy: -170.421
where: short stacking energy: -80.072
Base-Backbone interact. energy: 0.322
local terms energy: -86.764546
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -15.280
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: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -234.272960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.272960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.272960 (E_RNA)
where:
Base-Base interactions energy: -159.902
where: short stacking energy: -64.783
Base-Backbone interact. energy: -1.106
local terms energy: -73.264580
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -214.900930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.900930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.900930 (E_RNA)
where:
Base-Base interactions energy: -142.300
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.495
local terms energy: -72.106134
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -11.658
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: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -193.984359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.984359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.984359 (E_RNA)
where:
Base-Base interactions energy: -124.541
where: short stacking energy: -58.342
Base-Backbone interact. energy: -0.278
local terms energy: -69.166067
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -203.170790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.170790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.170790 (E_RNA)
where:
Base-Base interactions energy: -129.457
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.009
local terms energy: -73.704845
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -173.912573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.912573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.912573 (E_RNA)
where:
Base-Base interactions energy: -110.235
where: short stacking energy: -42.404
Base-Backbone interact. energy: -0.940
local terms energy: -62.738121
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -97.635537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.635537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.635537 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -34.343
Base-Backbone interact. energy: 1.069
local terms energy: -56.829254
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -5.283
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: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -96.958493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.958493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.958493 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.036
local terms energy: -58.586248
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -93.413981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.413981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.413981 (E_RNA)
where:
Base-Base interactions energy: -46.410
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.050
local terms energy: -46.953616
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -8.347
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: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -82.398688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398688 (E_RNA)
where:
Base-Base interactions energy: -32.195
where: short stacking energy: -19.732
Base-Backbone interact. energy: -0.675
local terms energy: -49.528916
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -255.163277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.163277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.163277 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -81.344
Base-Backbone interact. energy: 0.298
local terms energy: -75.478447
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -242.569117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.569117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.569117 (E_RNA)
where:
Base-Base interactions energy: -168.195
where: short stacking energy: -64.088
Base-Backbone interact. energy: 2.136
local terms energy: -76.510111
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -211.966524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.966524 (E_RNA)
where:
Base-Base interactions energy: -142.644
where: short stacking energy: -67.734
Base-Backbone interact. energy: -0.031
local terms energy: -69.291489
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -9.158
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -212.961364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.961364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.961364 (E_RNA)
where:
Base-Base interactions energy: -138.477
where: short stacking energy: -68.847
Base-Backbone interact. energy: 3.261
local terms energy: -77.745081
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -185.408710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.408710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.408710 (E_RNA)
where:
Base-Base interactions energy: -113.833
where: short stacking energy: -53.645
Base-Backbone interact. energy: -0.233
local terms energy: -71.342667
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -13.306
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: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -177.152879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.152879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.152879 (E_RNA)
where:
Base-Base interactions energy: -108.820
where: short stacking energy: -43.752
Base-Backbone interact. energy: -0.279
local terms energy: -68.054076
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -11.167
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: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -118.463462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.463462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.463462 (E_RNA)
where:
Base-Base interactions energy: -64.687
where: short stacking energy: -31.262
Base-Backbone interact. energy: 1.175
local terms energy: -54.950766
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -93.683441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.683441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.683441 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -35.681
Base-Backbone interact. energy: -0.062
local terms energy: -54.988081
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -81.030092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.030092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.030092 (E_RNA)
where:
Base-Base interactions energy: -31.670
where: short stacking energy: -27.782
Base-Backbone interact. energy: -0.079
local terms energy: -49.281087
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -81.267573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.267573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.267573 (E_RNA)
where:
Base-Base interactions energy: -22.546
where: short stacking energy: -20.614
Base-Backbone interact. energy: -0.731
local terms energy: -57.989872
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -5.858
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: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -251.248430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.248430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.248430 (E_RNA)
where:
Base-Base interactions energy: -176.291
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.146
local terms energy: -74.811689
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -253.314401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.314401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.314401 (E_RNA)
where:
Base-Base interactions energy: -177.405
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.274
local terms energy: -75.635280
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -13.208
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: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -218.633820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.633820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.633820 (E_RNA)
where:
Base-Base interactions energy: -133.466
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.108
local terms energy: -85.060092
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -214.763878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.763878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.763878 (E_RNA)
where:
Base-Base interactions energy: -135.692
where: short stacking energy: -63.646
Base-Backbone interact. energy: -0.294
local terms energy: -78.777498
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -167.213909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.213909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.213909 (E_RNA)
where:
Base-Base interactions energy: -108.690
where: short stacking energy: -50.009
Base-Backbone interact. energy: -0.057
local terms energy: -58.466761
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -8.968
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -163.396238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.396238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.396238 (E_RNA)
where:
Base-Base interactions energy: -93.192
where: short stacking energy: -47.052
Base-Backbone interact. energy: -0.406
local terms energy: -69.798289
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -112.216840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.216840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.216840 (E_RNA)
where:
Base-Base interactions energy: -44.009
where: short stacking energy: -41.788
Base-Backbone interact. energy: -0.148
local terms energy: -68.059623
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -105.880116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.880116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.880116 (E_RNA)
where:
Base-Base interactions energy: -46.167
where: short stacking energy: -34.785
Base-Backbone interact. energy: -0.783
local terms energy: -58.930076
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -3.542
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: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -95.652250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652250 (E_RNA)
where:
Base-Base interactions energy: -31.302
where: short stacking energy: -18.213
Base-Backbone interact. energy: 0.846
local terms energy: -65.196619
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -11.104
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: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -84.642921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642921 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -28.992
Base-Backbone interact. energy: 1.175
local terms energy: -56.826191
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -256.490971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.490971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.490971 (E_RNA)
where:
Base-Base interactions energy: -179.357
where: short stacking energy: -78.511
Base-Backbone interact. energy: -0.240
local terms energy: -76.893668
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -217.270535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.270535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.270535 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -65.493
Base-Backbone interact. energy: -0.006
local terms energy: -79.013321
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -10.655
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: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -242.268122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.268122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.268122 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -70.342
Base-Backbone interact. energy: -0.555
local terms energy: -75.564722
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -9.270
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: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -206.050998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.050998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.050998 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -67.509
Base-Backbone interact. energy: 0.827
local terms energy: -72.410818
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -177.135682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.135682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.135682 (E_RNA)
where:
Base-Base interactions energy: -112.243
where: short stacking energy: -47.115
Base-Backbone interact. energy: -0.145
local terms energy: -64.747835
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -156.706096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.706096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.706096 (E_RNA)
where:
Base-Base interactions energy: -97.238
where: short stacking energy: -38.466
Base-Backbone interact. energy: 2.404
local terms energy: -61.871901
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -102.692216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.692216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.692216 (E_RNA)
where:
Base-Base interactions energy: -36.075
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.054
local terms energy: -66.562917
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.486
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: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -85.353681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.353681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.353681 (E_RNA)
where:
Base-Base interactions energy: -29.642
where: short stacking energy: -29.742
Base-Backbone interact. energy: -0.355
local terms energy: -55.357244
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -87.138137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.138137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.138137 (E_RNA)
where:
Base-Base interactions energy: -35.889
where: short stacking energy: -35.889
Base-Backbone interact. energy: -0.357
local terms energy: -50.891721
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -85.546396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.546396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.546396 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -35.117
Base-Backbone interact. energy: -0.299
local terms energy: -45.238376
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -7.512
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: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -263.368732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.368732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.368732 (E_RNA)
where:
Base-Base interactions energy: -180.952
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.356
local terms energy: -82.060522
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -230.692048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.692048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.692048 (E_RNA)
where:
Base-Base interactions energy: -149.119
where: short stacking energy: -67.519
Base-Backbone interact. energy: -0.802
local terms energy: -80.770879
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -251.878776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.878776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.878776 (E_RNA)
where:
Base-Base interactions energy: -175.215
where: short stacking energy: -70.109
Base-Backbone interact. energy: -0.056
local terms energy: -76.608209
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -208.865191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.865191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.865191 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.108
local terms energy: -77.315894
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -191.187872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.187872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.187872 (E_RNA)
where:
Base-Base interactions energy: -126.291
where: short stacking energy: -61.863
Base-Backbone interact. energy: -1.019
local terms energy: -63.878046
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -3.529
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -178.383263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.383263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.383263 (E_RNA)
where:
Base-Base interactions energy: -120.235
where: short stacking energy: -50.315
Base-Backbone interact. energy: -0.122
local terms energy: -58.025789
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -3.638
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: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -112.409220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.409220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.409220 (E_RNA)
where:
Base-Base interactions energy: -48.632
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.147
local terms energy: -63.630080
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -108.555499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.555499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.555499 (E_RNA)
where:
Base-Base interactions energy: -48.950
where: short stacking energy: -34.283
Base-Backbone interact. energy: -1.067
local terms energy: -58.538044
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -100.107727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.107727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.107727 (E_RNA)
where:
Base-Base interactions energy: -38.728
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.221
local terms energy: -61.158434
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -6.533
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: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -97.470820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.470820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.470820 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -44.711
Base-Backbone interact. energy: -0.090
local terms energy: -52.669492
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -8.243
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -8.928
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: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -255.548651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.548651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.548651 (E_RNA)
where:
Base-Base interactions energy: -174.956
where: short stacking energy: -76.784
Base-Backbone interact. energy: 0.154
local terms energy: -80.746586
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -249.688587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.688587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.688587 (E_RNA)
where:
Base-Base interactions energy: -176.195
where: short stacking energy: -70.573
Base-Backbone interact. energy: -0.280
local terms energy: -73.213998
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.209
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: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -223.655052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.655052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.655052 (E_RNA)
where:
Base-Base interactions energy: -148.934
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.294
local terms energy: -74.426910
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.739
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: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -203.111195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.111195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.111195 (E_RNA)
where:
Base-Base interactions energy: -135.608
where: short stacking energy: -68.710
Base-Backbone interact. energy: 0.053
local terms energy: -67.555872
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -194.673972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.673972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.673972 (E_RNA)
where:
Base-Base interactions energy: -121.280
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.112
local terms energy: -73.282559
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -7.271
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: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -188.867090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.867090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.867090 (E_RNA)
where:
Base-Base interactions energy: -124.580
where: short stacking energy: -53.431
Base-Backbone interact. energy: 0.209
local terms energy: -64.496205
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -11.362
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: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -90.123601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.123601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.123601 (E_RNA)
where:
Base-Base interactions energy: -44.258
where: short stacking energy: -23.942
Base-Backbone interact. energy: 4.624
local terms energy: -50.489351
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -86.276460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.276460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.276460 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.090
local terms energy: -50.611278
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -84.995614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.995614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.995614 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -26.934
Base-Backbone interact. energy: -1.541
local terms energy: -51.178535
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -93.453896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.453896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.453896 (E_RNA)
where:
Base-Base interactions energy: -43.845
where: short stacking energy: -27.963
Base-Backbone interact. energy: 1.049
local terms energy: -50.658159
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -250.337189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.337189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.337189 (E_RNA)
where:
Base-Base interactions energy: -170.392
where: short stacking energy: -66.737
Base-Backbone interact. energy: -0.828
local terms energy: -79.117166
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -9.804
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: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -248.193221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.193221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.193221 (E_RNA)
where:
Base-Base interactions energy: -167.719
where: short stacking energy: -73.737
Base-Backbone interact. energy: -0.001
local terms energy: -80.472679
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -219.077153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.077153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.077153 (E_RNA)
where:
Base-Base interactions energy: -139.033
where: short stacking energy: -66.652
Base-Backbone interact. energy: -0.026
local terms energy: -80.018586
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -198.854944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.854944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.854944 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.008
local terms energy: -74.348313
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -6.761
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: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -190.313146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.313146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.313146 (E_RNA)
where:
Base-Base interactions energy: -119.515
where: short stacking energy: -62.361
Base-Backbone interact. energy: 0.478
local terms energy: -71.276640
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -175.450777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.450777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.450777 (E_RNA)
where:
Base-Base interactions energy: -114.107
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.288
local terms energy: -61.055495
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -122.207066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.207066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.207066 (E_RNA)
where:
Base-Base interactions energy: -70.173
where: short stacking energy: -25.157
Base-Backbone interact. energy: 1.474
local terms energy: -53.508441
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: 2.658
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: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -96.705116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.705116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.705116 (E_RNA)
where:
Base-Base interactions energy: -44.493
where: short stacking energy: -25.976
Base-Backbone interact. energy: 1.089
local terms energy: -53.301268
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -7.226
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: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -82.836363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.836363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.836363 (E_RNA)
where:
Base-Base interactions energy: -32.576
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.223
local terms energy: -50.036666
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -86.395661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.395661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.395661 (E_RNA)
where:
Base-Base interactions energy: -33.666
where: short stacking energy: -20.423
Base-Backbone interact. energy: -0.264
local terms energy: -52.465983
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -246.276586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.276586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.276586 (E_RNA)
where:
Base-Base interactions energy: -169.190
where: short stacking energy: -73.964
Base-Backbone interact. energy: -0.367
local terms energy: -76.718949
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -251.311036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.311036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.311036 (E_RNA)
where:
Base-Base interactions energy: -175.675
where: short stacking energy: -76.568
Base-Backbone interact. energy: -0.107
local terms energy: -75.529350
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -214.400794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.400794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.400794 (E_RNA)
where:
Base-Base interactions energy: -142.901
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.207
local terms energy: -71.292475
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -192.017611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.017611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.017611 (E_RNA)
where:
Base-Base interactions energy: -129.419
where: short stacking energy: -67.884
Base-Backbone interact. energy: -1.503
local terms energy: -61.095735
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.938
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: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -178.464106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.464106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.464106 (E_RNA)
where:
Base-Base interactions energy: -108.763
where: short stacking energy: -54.278
Base-Backbone interact. energy: -0.078
local terms energy: -69.622532
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -162.660023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.660023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.660023 (E_RNA)
where:
Base-Base interactions energy: -99.992
where: short stacking energy: -43.010
Base-Backbone interact. energy: -0.928
local terms energy: -61.740044
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -145.077325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.077325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.077325 (E_RNA)
where:
Base-Base interactions energy: -85.336
where: short stacking energy: -52.693
Base-Backbone interact. energy: 0.263
local terms energy: -60.004293
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -98.905092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.905092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.905092 (E_RNA)
where:
Base-Base interactions energy: -39.702
where: short stacking energy: -29.672
Base-Backbone interact. energy: 0.005
local terms energy: -59.208067
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -91.923797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.923797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.923797 (E_RNA)
where:
Base-Base interactions energy: -42.473
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.134
local terms energy: -49.317036
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -91.964005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.964005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.964005 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -24.927
Base-Backbone interact. energy: -0.318
local terms energy: -56.909289
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -258.301703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.301703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.301703 (E_RNA)
where:
Base-Base interactions energy: -180.772
where: short stacking energy: -76.532
Base-Backbone interact. energy: 1.263
local terms energy: -78.792110
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -241.319515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.319515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.319515 (E_RNA)
where:
Base-Base interactions energy: -160.774
where: short stacking energy: -72.585
Base-Backbone interact. energy: -0.952
local terms energy: -79.594050
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -205.640149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.640149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.640149 (E_RNA)
where:
Base-Base interactions energy: -133.172
where: short stacking energy: -78.579
Base-Backbone interact. energy: -0.006
local terms energy: -72.462178
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -210.909794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.909794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.909794 (E_RNA)
where:
Base-Base interactions energy: -134.805
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.494
local terms energy: -75.610877
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -187.938736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.938736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.938736 (E_RNA)
where:
Base-Base interactions energy: -120.446
where: short stacking energy: -58.895
Base-Backbone interact. energy: -0.198
local terms energy: -67.295222
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -177.924575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.924575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.924575 (E_RNA)
where:
Base-Base interactions energy: -114.555
where: short stacking energy: -42.499
Base-Backbone interact. energy: 0.312
local terms energy: -63.681390
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -113.803948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.803948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.803948 (E_RNA)
where:
Base-Base interactions energy: -59.701
where: short stacking energy: -33.169
Base-Backbone interact. energy: -2.434
local terms energy: -51.669489
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -96.675601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675601 (E_RNA)
where:
Base-Base interactions energy: -42.158
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.154
local terms energy: -54.363181
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -4.860
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: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -78.262006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.262006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.262006 (E_RNA)
where:
Base-Base interactions energy: -35.716
where: short stacking energy: -11.528
Base-Backbone interact. energy: -0.365
local terms energy: -42.181729
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -7.132
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: 0.353
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: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -78.218615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.218615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.218615 (E_RNA)
where:
Base-Base interactions energy: -24.053
where: short stacking energy: -24.053
Base-Backbone interact. energy: -0.195
local terms energy: -53.970829
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -8.108
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: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -256.008321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.008321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.008321 (E_RNA)
where:
Base-Base interactions energy: -173.613
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.289
local terms energy: -82.106762
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -20.226
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: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -240.607940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.607940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.607940 (E_RNA)
where:
Base-Base interactions energy: -169.957
where: short stacking energy: -64.358
Base-Backbone interact. energy: -0.362
local terms energy: -70.288516
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -207.430628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.430628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.430628 (E_RNA)
where:
Base-Base interactions energy: -130.032
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.201
local terms energy: -77.197551
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -208.398283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.398283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.398283 (E_RNA)
where:
Base-Base interactions energy: -136.009
where: short stacking energy: -56.369
Base-Backbone interact. energy: -0.448
local terms energy: -71.941046
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -10.715
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: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -212.664550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.664550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.664550 (E_RNA)
where:
Base-Base interactions energy: -144.539
where: short stacking energy: -51.722
Base-Backbone interact. energy: -0.546
local terms energy: -67.579160
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -184.129831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.129831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.129831 (E_RNA)
where:
Base-Base interactions energy: -122.697
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.252
local terms energy: -61.181147
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -5.749
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: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -106.515409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.515409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.515409 (E_RNA)
where:
Base-Base interactions energy: -48.649
where: short stacking energy: -39.736
Base-Backbone interact. energy: -0.044
local terms energy: -57.822824
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -2.228
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -97.294690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.294690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.294690 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -34.965
Base-Backbone interact. energy: 0.669
local terms energy: -55.143150
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -82.555204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.555204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.555204 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -12.814
Base-Backbone interact. energy: 0.519
local terms energy: -50.590749
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -2.736
tors. eta vs tors. theta energy: 2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -86.725305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.725305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.725305 (E_RNA)
where:
Base-Base interactions energy: -32.729
where: short stacking energy: -23.816
Base-Backbone interact. energy: -0.097
local terms energy: -53.899606
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -239.998069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.998069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.998069 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.263
local terms energy: -80.000127
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -248.935432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.935432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.935432 (E_RNA)
where:
Base-Base interactions energy: -169.999
where: short stacking energy: -58.032
Base-Backbone interact. energy: -1.514
local terms energy: -77.423080
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -230.187193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.187193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.187193 (E_RNA)
where:
Base-Base interactions energy: -154.760
where: short stacking energy: -54.059
Base-Backbone interact. energy: 0.292
local terms energy: -75.718920
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -9.585
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: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -201.887563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.887563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.887563 (E_RNA)
where:
Base-Base interactions energy: -132.170
where: short stacking energy: -70.052
Base-Backbone interact. energy: -0.302
local terms energy: -69.415583
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -14.621
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: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -196.764123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.764123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.764123 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -62.313
Base-Backbone interact. energy: -0.189
local terms energy: -75.173671
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -7.498
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: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -181.837119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.837119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.837119 (E_RNA)
where:
Base-Base interactions energy: -102.205
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.049
local terms energy: -79.583112
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -106.605862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.605862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.605862 (E_RNA)
where:
Base-Base interactions energy: -49.942
where: short stacking energy: -49.942
Base-Backbone interact. energy: -0.138
local terms energy: -56.525792
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -91.496392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.496392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.496392 (E_RNA)
where:
Base-Base interactions energy: -40.051
where: short stacking energy: -28.183
Base-Backbone interact. energy: -0.110
local terms energy: -51.335797
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: 2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -84.359028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.359028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.359028 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -23.966
Base-Backbone interact. energy: -0.240
local terms energy: -48.295900
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: 0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -93.189800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.189800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.189800 (E_RNA)
where:
Base-Base interactions energy: -41.738
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.094
local terms energy: -51.358045
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -245.260469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.260469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.260469 (E_RNA)
where:
Base-Base interactions energy: -164.235
where: short stacking energy: -65.381
Base-Backbone interact. energy: -1.489
local terms energy: -79.537203
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -246.951446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.951446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.951446 (E_RNA)
where:
Base-Base interactions energy: -165.740
where: short stacking energy: -71.541
Base-Backbone interact. energy: -0.843
local terms energy: -80.367709
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -231.022122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.022122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.022122 (E_RNA)
where:
Base-Base interactions energy: -154.569
where: short stacking energy: -66.094
Base-Backbone interact. energy: -0.149
local terms energy: -76.304617
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -196.116476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.116476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.116476 (E_RNA)
where:
Base-Base interactions energy: -132.558
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.153
local terms energy: -63.405355
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -166.810506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.810506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.810506 (E_RNA)
where:
Base-Base interactions energy: -104.240
where: short stacking energy: -41.783
Base-Backbone interact. energy: -0.468
local terms energy: -62.101878
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -9.307
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: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -157.450337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.450337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.450337 (E_RNA)
where:
Base-Base interactions energy: -95.943
where: short stacking energy: -47.773
Base-Backbone interact. energy: -0.621
local terms energy: -60.886286
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -97.229927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.229927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.229927 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.202
local terms energy: -63.468110
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -86.828668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.828668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.828668 (E_RNA)
where:
Base-Base interactions energy: -34.307
where: short stacking energy: -29.011
Base-Backbone interact. energy: -0.205
local terms energy: -52.316641
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -12.320
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: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -87.676248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.676248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.676248 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -36.955
Base-Backbone interact. energy: -0.292
local terms energy: -43.442551
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -0.835
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -91.340344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.340344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.340344 (E_RNA)
where:
Base-Base interactions energy: -37.631
where: short stacking energy: -29.294
Base-Backbone interact. energy: 1.574
local terms energy: -55.282854
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.356
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: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -249.263787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.263787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.263787 (E_RNA)
where:
Base-Base interactions energy: -167.238
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.828
local terms energy: -81.197644
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -234.906494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.906494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.906494 (E_RNA)
where:
Base-Base interactions energy: -157.935
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.351
local terms energy: -76.620364
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -14.429
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: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -231.237825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.237825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.237825 (E_RNA)
where:
Base-Base interactions energy: -160.466
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.418
local terms energy: -70.353626
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -10.654
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: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -207.799049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.799049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.799049 (E_RNA)
where:
Base-Base interactions energy: -127.972
where: short stacking energy: -73.550
Base-Backbone interact. energy: -0.031
local terms energy: -79.795532
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -158.101179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.101179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.101179 (E_RNA)
where:
Base-Base interactions energy: -91.963
where: short stacking energy: -58.061
Base-Backbone interact. energy: -0.078
local terms energy: -66.060430
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -6.149
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: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -132.520678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.520678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.520678 (E_RNA)
where:
Base-Base interactions energy: -72.078
where: short stacking energy: -41.337
Base-Backbone interact. energy: -0.351
local terms energy: -60.091764
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -5.110
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: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -107.306426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.306426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.306426 (E_RNA)
where:
Base-Base interactions energy: -42.147
where: short stacking energy: -41.109
Base-Backbone interact. energy: 0.689
local terms energy: -65.848385
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -97.045991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.045991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.045991 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.110
local terms energy: -59.952924
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -4.976
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: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -89.264181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.264181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.264181 (E_RNA)
where:
Base-Base interactions energy: -40.471
where: short stacking energy: -28.390
Base-Backbone interact. energy: 0.392
local terms energy: -49.185190
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -5.465
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: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -87.344964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.344964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.344964 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -26.942
Base-Backbone interact. energy: -0.143
local terms energy: -54.931515
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: 0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -244.889653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.889653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.889653 (E_RNA)
where:
Base-Base interactions energy: -161.418
where: short stacking energy: -75.033
Base-Backbone interact. energy: -0.581
local terms energy: -82.890648
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -20.852
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: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -256.885766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.885766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.885766 (E_RNA)
where:
Base-Base interactions energy: -194.870
where: short stacking energy: -67.919
Base-Backbone interact. energy: -0.385
local terms energy: -61.631038
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -225.295346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.295346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.295346 (E_RNA)
where:
Base-Base interactions energy: -157.990
where: short stacking energy: -64.087
Base-Backbone interact. energy: -0.348
local terms energy: -66.957644
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -170.396645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.396645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.396645 (E_RNA)
where:
Base-Base interactions energy: -98.488
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.076
local terms energy: -71.832566
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -183.927647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.927647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.927647 (E_RNA)
where:
Base-Base interactions energy: -113.490
where: short stacking energy: -52.649
Base-Backbone interact. energy: -0.452
local terms energy: -69.985694
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -120.610534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.610534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.610534 (E_RNA)
where:
Base-Base interactions energy: -57.784
where: short stacking energy: -48.601
Base-Backbone interact. energy: -0.183
local terms energy: -62.643931
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -116.540502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.540502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.540502 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -41.771
Base-Backbone interact. energy: -1.696
local terms energy: -69.989247
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -12.685
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: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -108.506421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.506421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.506421 (E_RNA)
where:
Base-Base interactions energy: -51.457
where: short stacking energy: -31.383
Base-Backbone interact. energy: -0.158
local terms energy: -56.891279
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -91.790431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.790431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.790431 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.048
local terms energy: -59.126779
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -79.879113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.879113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.879113 (E_RNA)
where:
Base-Base interactions energy: -28.548
where: short stacking energy: -27.748
Base-Backbone interact. energy: -0.762
local terms energy: -50.568934
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: 1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -256.720039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.720039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.720039 (E_RNA)
where:
Base-Base interactions energy: -183.177
where: short stacking energy: -69.523
Base-Backbone interact. energy: -0.836
local terms energy: -72.707519
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -243.158223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.158223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.158223 (E_RNA)
where:
Base-Base interactions energy: -168.506
where: short stacking energy: -77.363
Base-Backbone interact. energy: -0.584
local terms energy: -74.068195
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -194.370682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.370682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.370682 (E_RNA)
where:
Base-Base interactions energy: -123.793
where: short stacking energy: -60.430
Base-Backbone interact. energy: 0.084
local terms energy: -70.662034
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -212.300118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.300118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.300118 (E_RNA)
where:
Base-Base interactions energy: -147.347
where: short stacking energy: -65.537
Base-Backbone interact. energy: 1.194
local terms energy: -66.146475
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -187.441793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.441793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.441793 (E_RNA)
where:
Base-Base interactions energy: -116.766
where: short stacking energy: -62.177
Base-Backbone interact. energy: 0.902
local terms energy: -71.578388
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -19.577
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: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -112.530203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.530203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.530203 (E_RNA)
where:
Base-Base interactions energy: -49.686
where: short stacking energy: -49.686
Base-Backbone interact. energy: -0.348
local terms energy: -62.496446
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -10.356
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: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -113.488268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.488268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.488268 (E_RNA)
where:
Base-Base interactions energy: -45.013
where: short stacking energy: -41.559
Base-Backbone interact. energy: -0.349
local terms energy: -68.126464
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -99.507580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507580 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -30.241
Base-Backbone interact. energy: -0.529
local terms energy: -56.116197
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -98.540539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.540539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.540539 (E_RNA)
where:
Base-Base interactions energy: -46.812
where: short stacking energy: -32.902
Base-Backbone interact. energy: 1.344
local terms energy: -53.072153
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -96.149237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.149237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.149237 (E_RNA)
where:
Base-Base interactions energy: -56.833
where: short stacking energy: -31.807
Base-Backbone interact. energy: 3.421
local terms energy: -42.737707
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -4.066
flat angles P-C4'-P energy: -8.143
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: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -258.396757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.396757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.396757 (E_RNA)
where:
Base-Base interactions energy: -182.737
where: short stacking energy: -67.835
Base-Backbone interact. energy: 0.961
local terms energy: -76.620805
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -238.325123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.325123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.325123 (E_RNA)
where:
Base-Base interactions energy: -158.068
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.834
local terms energy: -79.423151
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -14.515
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: 3, replica: 10
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -187.047649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.047649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.047649 (E_RNA)
where:
Base-Base interactions energy: -114.028
where: short stacking energy: -42.972
Base-Backbone interact. energy: -1.076
local terms energy: -71.943435
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -186.528911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.528911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.528911 (E_RNA)
where:
Base-Base interactions energy: -118.166
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.190
local terms energy: -68.172844
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -190.041392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.041392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.041392 (E_RNA)
where:
Base-Base interactions energy: -112.549
where: short stacking energy: -50.302
Base-Backbone interact. energy: -0.538
local terms energy: -76.954397
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -14.740
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: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -97.585245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.585245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.585245 (E_RNA)
where:
Base-Base interactions energy: -40.696
where: short stacking energy: -27.802
Base-Backbone interact. energy: -0.564
local terms energy: -56.325323
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -100.230839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.230839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.230839 (E_RNA)
where:
Base-Base interactions energy: -41.080
where: short stacking energy: -38.617
Base-Backbone interact. energy: -0.037
local terms energy: -59.113168
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -96.219690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.219690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.219690 (E_RNA)
where:
Base-Base interactions energy: -44.788
where: short stacking energy: -31.130
Base-Backbone interact. energy: -0.298
local terms energy: -51.133218
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -104.627971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.627971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.627971 (E_RNA)
where:
Base-Base interactions energy: -54.487
where: short stacking energy: -40.709
Base-Backbone interact. energy: -0.096
local terms energy: -50.044745
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -84.034316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.034316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.034316 (E_RNA)
where:
Base-Base interactions energy: -36.492
where: short stacking energy: -34.261
Base-Backbone interact. energy: -0.488
local terms energy: -47.054323
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.542
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: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -250.401475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.401475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.401475 (E_RNA)
where:
Base-Base interactions energy: -168.640
where: short stacking energy: -68.812
Base-Backbone interact. energy: -1.349
local terms energy: -80.412624
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -235.759260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.759260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.759260 (E_RNA)
where:
Base-Base interactions energy: -163.854
where: short stacking energy: -71.510
Base-Backbone interact. energy: 0.731
local terms energy: -72.635302
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.991
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: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -214.347736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.347736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.347736 (E_RNA)
where:
Base-Base interactions energy: -128.203
where: short stacking energy: -71.085
Base-Backbone interact. energy: -0.003
local terms energy: -86.142203
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -186.278438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.278438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.278438 (E_RNA)
where:
Base-Base interactions energy: -117.626
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.075
local terms energy: -68.577513
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -185.785720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.785720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.785720 (E_RNA)
where:
Base-Base interactions energy: -118.531
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.004
local terms energy: -67.251291
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -121.646372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.646372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.646372 (E_RNA)
where:
Base-Base interactions energy: -72.095
where: short stacking energy: -51.381
Base-Backbone interact. energy: 2.712
local terms energy: -52.262989
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -1.792
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -99.793520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.793520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.793520 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -38.669
Base-Backbone interact. energy: -0.285
local terms energy: -60.604033
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -101.344396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.344396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.344396 (E_RNA)
where:
Base-Base interactions energy: -43.723
where: short stacking energy: -39.128
Base-Backbone interact. energy: -0.104
local terms energy: -57.517933
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -80.487869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.487869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.487869 (E_RNA)
where:
Base-Base interactions energy: -35.295
where: short stacking energy: -20.329
Base-Backbone interact. energy: -0.338
local terms energy: -44.854467
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: 4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -91.353892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.353892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.353892 (E_RNA)
where:
Base-Base interactions energy: -50.670
where: short stacking energy: -29.858
Base-Backbone interact. energy: -0.359
local terms energy: -40.324324
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -7.193
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: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -244.951636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.951636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.951636 (E_RNA)
where:
Base-Base interactions energy: -162.852
where: short stacking energy: -69.131
Base-Backbone interact. energy: -0.782
local terms energy: -81.317790
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -14.315
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: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -246.174928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.174928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.174928 (E_RNA)
where:
Base-Base interactions energy: -168.671
where: short stacking energy: -69.573
Base-Backbone interact. energy: 0.732
local terms energy: -78.235683
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -206.778279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.778279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.778279 (E_RNA)
where:
Base-Base interactions energy: -120.166
where: short stacking energy: -66.595
Base-Backbone interact. energy: -0.642
local terms energy: -85.970344
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -175.641549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.641549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.641549 (E_RNA)
where:
Base-Base interactions energy: -110.751
where: short stacking energy: -57.466
Base-Backbone interact. energy: -0.044
local terms energy: -64.846098
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -186.887925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.887925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.887925 (E_RNA)
where:
Base-Base interactions energy: -115.393
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.030
local terms energy: -71.464360
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -13.385
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: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -109.328109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.328109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.328109 (E_RNA)
where:
Base-Base interactions energy: -44.617
where: short stacking energy: -44.617
Base-Backbone interact. energy: -0.305
local terms energy: -64.406098
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -11.183
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: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -94.347148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.347148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.347148 (E_RNA)
where:
Base-Base interactions energy: -32.851
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.355
local terms energy: -61.141458
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -99.950417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.950417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.950417 (E_RNA)
where:
Base-Base interactions energy: -46.579
where: short stacking energy: -28.957
Base-Backbone interact. energy: -0.453
local terms energy: -52.917883
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -1.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -91.830310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.830310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.830310 (E_RNA)
where:
Base-Base interactions energy: -33.551
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.249
local terms energy: -58.030927
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -76.124633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.124633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.124633 (E_RNA)
where:
Base-Base interactions energy: -29.227
where: short stacking energy: -19.938
Base-Backbone interact. energy: 2.016
local terms energy: -48.913818
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -246.406131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.406131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.406131 (E_RNA)
where:
Base-Base interactions energy: -164.310
where: short stacking energy: -67.159
Base-Backbone interact. energy: 0.121
local terms energy: -82.217361
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -240.825597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.825597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.825597 (E_RNA)
where:
Base-Base interactions energy: -165.388
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.230
local terms energy: -75.207057
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -10.786
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: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -214.837997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.837997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.837997 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -74.450
Base-Backbone interact. energy: 0.886
local terms energy: -82.976790
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -22.331
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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -191.113679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.113679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.113679 (E_RNA)
where:
Base-Base interactions energy: -122.762
where: short stacking energy: -62.775
Base-Backbone interact. energy: 0.012
local terms energy: -68.364048
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -182.474188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.474188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.474188 (E_RNA)
where:
Base-Base interactions energy: -118.244
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.158
local terms energy: -64.072099
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -127.494663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.494663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.494663 (E_RNA)
where:
Base-Base interactions energy: -67.444
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.215
local terms energy: -59.836476
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -95.906466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.906466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.906466 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -22.118
Base-Backbone interact. energy: -0.034
local terms energy: -54.969018
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: 2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -93.161775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.161775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.161775 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -41.528
Base-Backbone interact. energy: -0.005
local terms energy: -51.415872
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -99.648080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.648080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.648080 (E_RNA)
where:
Base-Base interactions energy: -43.463
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.388
local terms energy: -55.796277
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -96.156878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.156878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.156878 (E_RNA)
where:
Base-Base interactions energy: -41.269
where: short stacking energy: -35.521
Base-Backbone interact. energy: -0.225
local terms energy: -54.663152
where:
bonds (distance) C4'-P energy: -8.316
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -3.017
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: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -253.300999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.300999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.300999 (E_RNA)
where:
Base-Base interactions energy: -178.911
where: short stacking energy: -70.689
Base-Backbone interact. energy: 1.299
local terms energy: -75.688924
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -11.949
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: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -233.678766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.678766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.678766 (E_RNA)
where:
Base-Base interactions energy: -157.348
where: short stacking energy: -62.707
Base-Backbone interact. energy: -0.616
local terms energy: -75.714730
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -203.745031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.745031 (E_RNA)
where:
Base-Base interactions energy: -125.541
where: short stacking energy: -69.309
Base-Backbone interact. energy: 0.111
local terms energy: -78.315786
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -204.364885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.364885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.364885 (E_RNA)
where:
Base-Base interactions energy: -126.848
where: short stacking energy: -62.395
Base-Backbone interact. energy: 0.991
local terms energy: -78.507339
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -168.095559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.095559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.095559 (E_RNA)
where:
Base-Base interactions energy: -100.312
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.024
local terms energy: -67.759561
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -146.750368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.750368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.750368 (E_RNA)
where:
Base-Base interactions energy: -78.011
where: short stacking energy: -41.029
Base-Backbone interact. energy: -0.117
local terms energy: -68.622822
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -14.474
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: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -105.831354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.831354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.831354 (E_RNA)
where:
Base-Base interactions energy: -44.774
where: short stacking energy: -44.531
Base-Backbone interact. energy: -0.053
local terms energy: -61.003734
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -100.478314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.478314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.478314 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.120
local terms energy: -60.303810
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -6.984
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: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -86.749279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.749279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.749279 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.034
local terms energy: -56.669460
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -84.303852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.303852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.303852 (E_RNA)
where:
Base-Base interactions energy: -23.493
where: short stacking energy: -17.134
Base-Backbone interact. energy: -0.025
local terms energy: -60.785331
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -3.283
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: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -250.551134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.551134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.551134 (E_RNA)
where:
Base-Base interactions energy: -176.874
where: short stacking energy: -69.000
Base-Backbone interact. energy: -0.139
local terms energy: -73.537891
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -246.970716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.970716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.970716 (E_RNA)
where:
Base-Base interactions energy: -162.895
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.900
local terms energy: -83.175664
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -207.373302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.373302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.373302 (E_RNA)
where:
Base-Base interactions energy: -132.557
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.090
local terms energy: -74.726580
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -200.091333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.091333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.091333 (E_RNA)
where:
Base-Base interactions energy: -127.347
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.072
local terms energy: -72.671773
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -168.993967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.993967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.993967 (E_RNA)
where:
Base-Base interactions energy: -94.634
where: short stacking energy: -56.738
Base-Backbone interact. energy: -0.298
local terms energy: -74.061819
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -16.204
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: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -190.799575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.799575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.799575 (E_RNA)
where:
Base-Base interactions energy: -121.864
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.003
local terms energy: -68.932755
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -98.696438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.696438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.696438 (E_RNA)
where:
Base-Base interactions energy: -44.515
where: short stacking energy: -43.418
Base-Backbone interact. energy: 1.146
local terms energy: -55.326768
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -95.881196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.881196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.881196 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -33.356
Base-Backbone interact. energy: -0.270
local terms energy: -52.405515
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -94.930506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.930506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.930506 (E_RNA)
where:
Base-Base interactions energy: -35.188
where: short stacking energy: -33.924
Base-Backbone interact. energy: -0.115
local terms energy: -59.627191
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -5.741
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: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -86.335961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.335961 (E_RNA)
where:
Base-Base interactions energy: -33.227
where: short stacking energy: -33.227
Base-Backbone interact. energy: -0.309
local terms energy: -52.800416
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -248.890439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.890439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.890439 (E_RNA)
where:
Base-Base interactions energy: -166.704
where: short stacking energy: -67.527
Base-Backbone interact. energy: -1.018
local terms energy: -81.168942
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -237.918512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.918512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.918512 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.184
local terms energy: -81.990681
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -9.469
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: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -208.449513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.449513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.449513 (E_RNA)
where:
Base-Base interactions energy: -133.185
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.274
local terms energy: -74.991309
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -192.713875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.713875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.713875 (E_RNA)
where:
Base-Base interactions energy: -119.542
where: short stacking energy: -67.210
Base-Backbone interact. energy: -0.022
local terms energy: -73.149655
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -173.583164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.583164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.583164 (E_RNA)
where:
Base-Base interactions energy: -109.644
where: short stacking energy: -59.092
Base-Backbone interact. energy: 1.001
local terms energy: -64.939558
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -8.030
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: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -172.938640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.938640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938640 (E_RNA)
where:
Base-Base interactions energy: -106.425
where: short stacking energy: -51.975
Base-Backbone interact. energy: -0.012
local terms energy: -66.501038
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -11.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -93.204890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.204890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.204890 (E_RNA)
where:
Base-Base interactions energy: -34.653
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.249
local terms energy: -58.302777
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -3.213
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: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -87.043019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.043019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.043019 (E_RNA)
where:
Base-Base interactions energy: -40.050
where: short stacking energy: -37.970
Base-Backbone interact. energy: -0.211
local terms energy: -46.781679
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -84.167608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.167608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.167608 (E_RNA)
where:
Base-Base interactions energy: -26.286
where: short stacking energy: -25.032
Base-Backbone interact. energy: 3.572
local terms energy: -61.453010
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -10.944
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: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -84.566148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.566148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.566148 (E_RNA)
where:
Base-Base interactions energy: -37.218
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.943
local terms energy: -46.404428
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: 0.362
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: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -243.777909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.777909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.777909 (E_RNA)
where:
Base-Base interactions energy: -170.700
where: short stacking energy: -62.676
Base-Backbone interact. energy: 0.396
local terms energy: -73.474184
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -240.704157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.704157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.704157 (E_RNA)
where:
Base-Base interactions energy: -160.604
where: short stacking energy: -69.507
Base-Backbone interact. energy: -0.236
local terms energy: -79.864161
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -22.431
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: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -184.318008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.318008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.318008 (E_RNA)
where:
Base-Base interactions energy: -114.615
where: short stacking energy: -59.822
Base-Backbone interact. energy: -0.040
local terms energy: -69.663266
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -217.011663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.011663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.011663 (E_RNA)
where:
Base-Base interactions energy: -141.930
where: short stacking energy: -64.202
Base-Backbone interact. energy: -1.431
local terms energy: -73.650814
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -184.730509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.730509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.730509 (E_RNA)
where:
Base-Base interactions energy: -117.180
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.111
local terms energy: -67.439935
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -158.663048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.663048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.663048 (E_RNA)
where:
Base-Base interactions energy: -89.984
where: short stacking energy: -46.206
Base-Backbone interact. energy: -0.063
local terms energy: -68.615187
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -96.228161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.228161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.228161 (E_RNA)
where:
Base-Base interactions energy: -40.046
where: short stacking energy: -40.046
Base-Backbone interact. energy: -0.068
local terms energy: -56.114622
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -89.212174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.212174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.212174 (E_RNA)
where:
Base-Base interactions energy: -37.678
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.175
local terms energy: -51.358869
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -90.375112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.375112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.375112 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -21.747
Base-Backbone interact. energy: -0.128
local terms energy: -65.474140
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -91.139430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139430 (E_RNA)
where:
Base-Base interactions energy: -37.152
where: short stacking energy: -37.152
Base-Backbone interact. energy: -0.102
local terms energy: -53.884766
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -6.553
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: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -252.985717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.985717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.985717 (E_RNA)
where:
Base-Base interactions energy: -170.662
where: short stacking energy: -69.646
Base-Backbone interact. energy: -1.640
local terms energy: -80.683548
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -243.584490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.584490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.584490 (E_RNA)
where:
Base-Base interactions energy: -168.229
where: short stacking energy: -78.493
Base-Backbone interact. energy: 2.120
local terms energy: -77.475375
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -20.778
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -197.687561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.687561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.687561 (E_RNA)
where:
Base-Base interactions energy: -120.896
where: short stacking energy: -60.302
Base-Backbone interact. energy: -1.613
local terms energy: -75.178971
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -199.960138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.960138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.960138 (E_RNA)
where:
Base-Base interactions energy: -128.311
where: short stacking energy: -72.205
Base-Backbone interact. energy: -0.516
local terms energy: -71.133160
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -208.435030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.435030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.435030 (E_RNA)
where:
Base-Base interactions energy: -132.304
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.069
local terms energy: -76.061621
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -10.593
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: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -156.843383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.843383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.843383 (E_RNA)
where:
Base-Base interactions energy: -91.863
where: short stacking energy: -36.633
Base-Backbone interact. energy: -0.637
local terms energy: -64.343891
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -97.987416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.987416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.987416 (E_RNA)
where:
Base-Base interactions energy: -50.946
where: short stacking energy: -33.788
Base-Backbone interact. energy: -0.349
local terms energy: -46.692829
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -9.788
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: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -90.056787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.056787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.056787 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.159
local terms energy: -55.417400
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -89.710275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.710275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.710275 (E_RNA)
where:
Base-Base interactions energy: -42.978
where: short stacking energy: -29.823
Base-Backbone interact. energy: -0.122
local terms energy: -46.610855
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: 4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -87.637632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.637632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.637632 (E_RNA)
where:
Base-Base interactions energy: -36.178
where: short stacking energy: -28.634
Base-Backbone interact. energy: -0.451
local terms energy: -51.008737
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -1.064
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: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -246.372346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.372346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.372346 (E_RNA)
where:
Base-Base interactions energy: -166.290
where: short stacking energy: -82.455
Base-Backbone interact. energy: -0.312
local terms energy: -79.770843
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -20.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -243.573066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.573066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.573066 (E_RNA)
where:
Base-Base interactions energy: -169.868
where: short stacking energy: -68.119
Base-Backbone interact. energy: -0.163
local terms energy: -73.542217
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -207.622680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.622680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.622680 (E_RNA)
where:
Base-Base interactions energy: -130.776
where: short stacking energy: -67.821
Base-Backbone interact. energy: -0.040
local terms energy: -76.806534
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -196.444098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.444098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.444098 (E_RNA)
where:
Base-Base interactions energy: -121.628
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.180
local terms energy: -74.636298
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -194.550072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.550072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.550072 (E_RNA)
where:
Base-Base interactions energy: -126.630
where: short stacking energy: -51.572
Base-Backbone interact. energy: -0.263
local terms energy: -67.656749
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -182.880017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.880017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.880017 (E_RNA)
where:
Base-Base interactions energy: -107.691
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.213
local terms energy: -74.976399
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -20.621
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: 264
Temperature: 1.200000
Total energy: -102.962127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.962127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.962127 (E_RNA)
where:
Base-Base interactions energy: -44.029
where: short stacking energy: -38.978
Base-Backbone interact. energy: -0.069
local terms energy: -58.863591
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -107.934339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.934339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.934339 (E_RNA)
where:
Base-Base interactions energy: -48.815
where: short stacking energy: -40.655
Base-Backbone interact. energy: -0.115
local terms energy: -59.004412
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -87.071283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071283 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -26.140
Base-Backbone interact. energy: -0.138
local terms energy: -48.737851
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: 2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -80.253387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.253387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.253387 (E_RNA)
where:
Base-Base interactions energy: -34.642
where: short stacking energy: -31.459
Base-Backbone interact. energy: 1.424
local terms energy: -47.035098
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -241.654762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.654762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.654762 (E_RNA)
where:
Base-Base interactions energy: -161.911
where: short stacking energy: -75.129
Base-Backbone interact. energy: -0.330
local terms energy: -79.413861
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -239.825910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825910 (E_RNA)
where:
Base-Base interactions energy: -160.842
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.391
local terms energy: -78.592533
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -16.617
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: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -209.007069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.007069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.007069 (E_RNA)
where:
Base-Base interactions energy: -125.384
where: short stacking energy: -68.135
Base-Backbone interact. energy: -0.002
local terms energy: -83.621547
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -14.241
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: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -210.808705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.808705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.808705 (E_RNA)
where:
Base-Base interactions energy: -129.281
where: short stacking energy: -74.640
Base-Backbone interact. energy: -0.049
local terms energy: -81.478910
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -23.704
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: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -183.884846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.884846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.884846 (E_RNA)
where:
Base-Base interactions energy: -122.264
where: short stacking energy: -52.003
Base-Backbone interact. energy: 0.340
local terms energy: -61.961129
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -183.093584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.093584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.093584 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -59.574
Base-Backbone interact. energy: 0.141
local terms energy: -75.327064
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -16.256
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: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -99.642363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.642363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.642363 (E_RNA)
where:
Base-Base interactions energy: -44.927
where: short stacking energy: -36.784
Base-Backbone interact. energy: -0.101
local terms energy: -54.614953
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -93.097957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.097957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.097957 (E_RNA)
where:
Base-Base interactions energy: -35.742
where: short stacking energy: -30.590
Base-Backbone interact. energy: 0.690
local terms energy: -58.046507
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -80.657968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.657968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.657968 (E_RNA)
where:
Base-Base interactions energy: -32.706
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.117
local terms energy: -47.835280
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -81.212913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.212913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.212913 (E_RNA)
where:
Base-Base interactions energy: -42.515
where: short stacking energy: -16.778
Base-Backbone interact. energy: -0.192
local terms energy: -38.505511
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -4.383
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: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -241.315170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.315170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.315170 (E_RNA)
where:
Base-Base interactions energy: -165.117
where: short stacking energy: -67.719
Base-Backbone interact. energy: 0.002
local terms energy: -76.200216
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -243.122919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.122919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.122919 (E_RNA)
where:
Base-Base interactions energy: -159.141
where: short stacking energy: -69.255
Base-Backbone interact. energy: -0.767
local terms energy: -83.214558
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -187.342846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.342846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.342846 (E_RNA)
where:
Base-Base interactions energy: -112.958
where: short stacking energy: -61.112
Base-Backbone interact. energy: -0.158
local terms energy: -74.226872
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -182.405433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.405433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.405433 (E_RNA)
where:
Base-Base interactions energy: -112.940
where: short stacking energy: -68.594
Base-Backbone interact. energy: -0.018
local terms energy: -69.447010
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -18.059
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: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -199.076365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.076365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.076365 (E_RNA)
where:
Base-Base interactions energy: -129.815
where: short stacking energy: -62.259
Base-Backbone interact. energy: 2.017
local terms energy: -71.278857
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -20.218
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: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -189.101841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.101841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.101841 (E_RNA)
where:
Base-Base interactions energy: -117.497
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.025
local terms energy: -71.580587
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -100.694081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.694081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.694081 (E_RNA)
where:
Base-Base interactions energy: -48.053
where: short stacking energy: -44.226
Base-Backbone interact. energy: -0.057
local terms energy: -52.584642
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -5.124
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: 266
Temperature: 1.250000
Total energy: -96.668050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.668050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.668050 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -35.288
Base-Backbone interact. energy: 0.468
local terms energy: -56.799076
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -88.929660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.929660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.929660 (E_RNA)
where:
Base-Base interactions energy: -20.890
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.058
local terms energy: -67.981517
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -11.232
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: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -78.638331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.638331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.638331 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -25.513
Base-Backbone interact. energy: -0.520
local terms energy: -45.606864
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -248.407959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.407959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.407959 (E_RNA)
where:
Base-Base interactions energy: -166.402
where: short stacking energy: -72.578
Base-Backbone interact. energy: -0.028
local terms energy: -81.977523
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -234.173869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.173869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.173869 (E_RNA)
where:
Base-Base interactions energy: -152.014
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.168
local terms energy: -81.991913
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -204.127478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.127478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.127478 (E_RNA)
where:
Base-Base interactions energy: -141.059
where: short stacking energy: -52.482
Base-Backbone interact. energy: 0.318
local terms energy: -63.387268
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -209.014195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.014195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.014195 (E_RNA)
where:
Base-Base interactions energy: -129.934
where: short stacking energy: -81.211
Base-Backbone interact. energy: -0.072
local terms energy: -79.007320
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -177.387697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.387697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.387697 (E_RNA)
where:
Base-Base interactions energy: -102.802
where: short stacking energy: -56.011
Base-Backbone interact. energy: -0.017
local terms energy: -74.569311
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -178.863637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.863637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.863637 (E_RNA)
where:
Base-Base interactions energy: -121.114
where: short stacking energy: -54.714
Base-Backbone interact. energy: 0.444
local terms energy: -58.193600
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -89.328851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328851 (E_RNA)
where:
Base-Base interactions energy: -32.144
where: short stacking energy: -32.144
Base-Backbone interact. energy: -0.245
local terms energy: -56.939928
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -87.295456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.295456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.295456 (E_RNA)
where:
Base-Base interactions energy: -35.814
where: short stacking energy: -31.831
Base-Backbone interact. energy: 1.351
local terms energy: -52.832411
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -90.025207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.025207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.025207 (E_RNA)
where:
Base-Base interactions energy: -37.527
where: short stacking energy: -36.897
Base-Backbone interact. energy: -0.203
local terms energy: -52.294991
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -80.637075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.637075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.637075 (E_RNA)
where:
Base-Base interactions energy: -31.131
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.071
local terms energy: -49.435336
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -246.417163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.417163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.417163 (E_RNA)
where:
Base-Base interactions energy: -168.069
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.243
local terms energy: -78.104298
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -10.485
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: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -256.376511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.376511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.376511 (E_RNA)
where:
Base-Base interactions energy: -178.824
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.926
local terms energy: -76.626434
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -196.126263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.126263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.126263 (E_RNA)
where:
Base-Base interactions energy: -131.287
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.104
local terms energy: -64.735233
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -191.568775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.568775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.568775 (E_RNA)
where:
Base-Base interactions energy: -114.152
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.016
local terms energy: -77.400579
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -8.869
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: 268
Temperature: 1.100000
Total energy: -178.404498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.404498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.404498 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.018
local terms energy: -61.550486
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -13.309
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: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -163.177866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.177866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.177866 (E_RNA)
where:
Base-Base interactions energy: -101.465
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.319
local terms energy: -61.393817
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -4.465
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: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -98.624265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.624265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.624265 (E_RNA)
where:
Base-Base interactions energy: -42.568
where: short stacking energy: -39.556
Base-Backbone interact. energy: -0.008
local terms energy: -56.049034
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -93.877850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.877850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.877850 (E_RNA)
where:
Base-Base interactions energy: -41.831
where: short stacking energy: -27.377
Base-Backbone interact. energy: 0.815
local terms energy: -52.861149
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -92.064140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064140 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -32.161
Base-Backbone interact. energy: 0.447
local terms energy: -57.424453
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -2.528
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: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -79.924074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.924074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.924074 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.024
local terms energy: -49.593164
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -250.087027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.087027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.087027 (E_RNA)
where:
Base-Base interactions energy: -164.363
where: short stacking energy: -80.804
Base-Backbone interact. energy: -0.028
local terms energy: -85.695836
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -260.268632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.268632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.268632 (E_RNA)
where:
Base-Base interactions energy: -183.640
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.320
local terms energy: -76.308942
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -185.836551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.836551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.836551 (E_RNA)
where:
Base-Base interactions energy: -126.737
where: short stacking energy: -65.065
Base-Backbone interact. energy: -0.587
local terms energy: -58.512933
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -185.513859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.513859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.513859 (E_RNA)
where:
Base-Base interactions energy: -116.324
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.412
local terms energy: -68.777832
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -179.142564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.142564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.142564 (E_RNA)
where:
Base-Base interactions energy: -113.393
where: short stacking energy: -39.208
Base-Backbone interact. energy: -0.135
local terms energy: -65.614327
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -12.473
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: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -180.287744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.287744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.287744 (E_RNA)
where:
Base-Base interactions energy: -107.326
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.259
local terms energy: -72.701898
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -12.971
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: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -106.067654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.067654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.067654 (E_RNA)
where:
Base-Base interactions energy: -41.163
where: short stacking energy: -34.665
Base-Backbone interact. energy: -0.137
local terms energy: -64.767899
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -114.919008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.919008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.919008 (E_RNA)
where:
Base-Base interactions energy: -57.468
where: short stacking energy: -39.919
Base-Backbone interact. energy: -0.188
local terms energy: -57.263271
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -76.392417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.392417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.392417 (E_RNA)
where:
Base-Base interactions energy: -22.838
where: short stacking energy: -22.938
Base-Backbone interact. energy: -0.194
local terms energy: -53.360267
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: 2.844
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: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -82.797085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.797085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.797085 (E_RNA)
where:
Base-Base interactions energy: -34.866
where: short stacking energy: -23.455
Base-Backbone interact. energy: -0.071
local terms energy: -47.860564
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -260.496400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.496400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.496400 (E_RNA)
where:
Base-Base interactions energy: -181.013
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.806
local terms energy: -78.677078
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -244.455520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.455520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.455520 (E_RNA)
where:
Base-Base interactions energy: -164.812
where: short stacking energy: -74.796
Base-Backbone interact. energy: -0.189
local terms energy: -79.454937
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -220.384712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.384712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.384712 (E_RNA)
where:
Base-Base interactions energy: -151.575
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.985
local terms energy: -67.824245
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -196.996513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.996513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.996513 (E_RNA)
where:
Base-Base interactions energy: -131.553
where: short stacking energy: -51.370
Base-Backbone interact. energy: -0.160
local terms energy: -65.284161
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -206.604828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.604828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.604828 (E_RNA)
where:
Base-Base interactions energy: -130.119
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.015
local terms energy: -76.470644
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -210.985540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.985540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.985540 (E_RNA)
where:
Base-Base interactions energy: -153.011
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.394
local terms energy: -57.579851
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -5.795
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: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -119.438684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.438684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.438684 (E_RNA)
where:
Base-Base interactions energy: -56.438
where: short stacking energy: -33.118
Base-Backbone interact. energy: -0.232
local terms energy: -62.769512
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -7.948
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: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -94.373791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.373791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.373791 (E_RNA)
where:
Base-Base interactions energy: -41.373
where: short stacking energy: -40.365
Base-Backbone interact. energy: -1.010
local terms energy: -51.990759
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -3.858
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -84.446762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.446762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.446762 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.136
local terms energy: -53.614781
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -78.710547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.710547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.710547 (E_RNA)
where:
Base-Base interactions energy: -26.341
where: short stacking energy: -25.400
Base-Backbone interact. energy: -0.149
local terms energy: -52.220318
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -260.252570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.252570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.252570 (E_RNA)
where:
Base-Base interactions energy: -181.567
where: short stacking energy: -69.004
Base-Backbone interact. energy: 1.022
local terms energy: -79.707563
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -217.518396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.518396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.518396 (E_RNA)
where:
Base-Base interactions energy: -138.180
where: short stacking energy: -56.897
Base-Backbone interact. energy: -1.331
local terms energy: -78.007902
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -16.268
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: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -233.785156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.785156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.785156 (E_RNA)
where:
Base-Base interactions energy: -159.952
where: short stacking energy: -74.749
Base-Backbone interact. energy: -0.429
local terms energy: -73.404403
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -21.940
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: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -207.207993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.207993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.207993 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -73.695
Base-Backbone interact. energy: -0.008
local terms energy: -77.411937
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -195.238635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.238635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.238635 (E_RNA)
where:
Base-Base interactions energy: -122.602
where: short stacking energy: -65.027
Base-Backbone interact. energy: -0.001
local terms energy: -72.635840
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -205.843626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.843626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.843626 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.053
local terms energy: -61.405309
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.380
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -105.766901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.766901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.766901 (E_RNA)
where:
Base-Base interactions energy: -50.655
where: short stacking energy: -27.042
Base-Backbone interact. energy: 0.435
local terms energy: -55.547046
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -85.676239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.676239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.676239 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -28.870
Base-Backbone interact. energy: -0.452
local terms energy: -49.218886
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: 0.431
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: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -94.946475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.946475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.946475 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -28.881
Base-Backbone interact. energy: 1.622
local terms energy: -55.393089
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -78.070114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.070114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.070114 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -26.674
Base-Backbone interact. energy: -0.066
local terms energy: -49.567020
where:
bonds (distance) C4'-P energy: -5.516
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -251.771337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.771337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.771337 (E_RNA)
where:
Base-Base interactions energy: -175.994
where: short stacking energy: -65.970
Base-Backbone interact. energy: -0.929
local terms energy: -74.848275
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -214.034332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.034332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.034332 (E_RNA)
where:
Base-Base interactions energy: -142.090
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.166
local terms energy: -71.778437
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -237.453447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.453447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.453447 (E_RNA)
where:
Base-Base interactions energy: -156.571
where: short stacking energy: -75.480
Base-Backbone interact. energy: -0.312
local terms energy: -80.570414
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -19.656
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: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -194.653605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.653605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.653605 (E_RNA)
where:
Base-Base interactions energy: -115.842
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.297
local terms energy: -78.514622
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -230.642638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.642638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.642638 (E_RNA)
where:
Base-Base interactions energy: -162.458
where: short stacking energy: -61.022
Base-Backbone interact. energy: 0.299
local terms energy: -68.484157
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -10.459
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: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -188.859519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.859519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.859519 (E_RNA)
where:
Base-Base interactions energy: -127.874
where: short stacking energy: -49.761
Base-Backbone interact. energy: -0.255
local terms energy: -60.730528
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -3.569
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: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -99.229896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.229896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.229896 (E_RNA)
where:
Base-Base interactions energy: -41.968
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.077
local terms energy: -57.185459
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -100.630565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.630565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.630565 (E_RNA)
where:
Base-Base interactions energy: -39.022
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.020
local terms energy: -61.588434
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -89.640216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.640216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.640216 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -33.811
Base-Backbone interact. energy: 0.488
local terms energy: -48.218788
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -78.414856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.414856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.414856 (E_RNA)
where:
Base-Base interactions energy: -21.606
where: short stacking energy: -14.420
Base-Backbone interact. energy: -1.409
local terms energy: -55.399158
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: 1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -259.194273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.194273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.194273 (E_RNA)
where:
Base-Base interactions energy: -179.582
where: short stacking energy: -72.398
Base-Backbone interact. energy: -0.133
local terms energy: -79.479715
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -238.028549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.028549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.028549 (E_RNA)
where:
Base-Base interactions energy: -160.716
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.304
local terms energy: -77.008494
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -226.982640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.982640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.982640 (E_RNA)
where:
Base-Base interactions energy: -144.872
where: short stacking energy: -71.746
Base-Backbone interact. energy: -0.014
local terms energy: -82.095900
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -219.754570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.754570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.754570 (E_RNA)
where:
Base-Base interactions energy: -148.771
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.041
local terms energy: -70.942422
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -190.440841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.440841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.440841 (E_RNA)
where:
Base-Base interactions energy: -123.532
where: short stacking energy: -48.713
Base-Backbone interact. energy: 0.191
local terms energy: -67.100125
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -173.757896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.757896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.757896 (E_RNA)
where:
Base-Base interactions energy: -101.285
where: short stacking energy: -52.710
Base-Backbone interact. energy: -0.159
local terms energy: -72.313969
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -94.331924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.331924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.331924 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.019
local terms energy: -62.510939
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -98.129286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.129286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.129286 (E_RNA)
where:
Base-Base interactions energy: -47.713
where: short stacking energy: -33.922
Base-Backbone interact. energy: 0.581
local terms energy: -50.997920
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -84.485175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.485175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.485175 (E_RNA)
where:
Base-Base interactions energy: -33.142
where: short stacking energy: -27.044
Base-Backbone interact. energy: -0.159
local terms energy: -51.183972
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -78.302653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.302653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.302653 (E_RNA)
where:
Base-Base interactions energy: -31.426
where: short stacking energy: -16.438
Base-Backbone interact. energy: -0.178
local terms energy: -46.698610
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -264.858764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.858764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.858764 (E_RNA)
where:
Base-Base interactions energy: -190.262
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.614
local terms energy: -73.982411
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -14.986
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: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -248.406119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.406119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.406119 (E_RNA)
where:
Base-Base interactions energy: -166.809
where: short stacking energy: -71.572
Base-Backbone interact. energy: -0.080
local terms energy: -81.517558
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -11.883
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: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -224.598161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.598161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.598161 (E_RNA)
where:
Base-Base interactions energy: -145.337
where: short stacking energy: -74.879
Base-Backbone interact. energy: -0.593
local terms energy: -78.667247
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -7.914
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: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -221.357457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.357457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.357457 (E_RNA)
where:
Base-Base interactions energy: -156.747
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.362
local terms energy: -64.247723
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -198.167969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.167969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.167969 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.139
local terms energy: -72.351635
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -11.592
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: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -175.672343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.672343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.672343 (E_RNA)
where:
Base-Base interactions energy: -113.587
where: short stacking energy: -52.900
Base-Backbone interact. energy: -0.224
local terms energy: -61.860785
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -106.149231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.149231 (E_RNA)
where:
Base-Base interactions energy: -43.669
where: short stacking energy: -43.669
Base-Backbone interact. energy: 0.299
local terms energy: -62.779286
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -98.842042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.842042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.842042 (E_RNA)
where:
Base-Base interactions energy: -39.064
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.156
local terms energy: -59.622761
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -101.313663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.313663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.313663 (E_RNA)
where:
Base-Base interactions energy: -48.505
where: short stacking energy: -30.550
Base-Backbone interact. energy: -1.079
local terms energy: -51.730081
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -5.942
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: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -87.431373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.431373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.431373 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -29.892
Base-Backbone interact. energy: -0.341
local terms energy: -52.595868
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -261.525015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.525015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.525015 (E_RNA)
where:
Base-Base interactions energy: -187.717
where: short stacking energy: -67.171
Base-Backbone interact. energy: 0.423
local terms energy: -74.230430
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -13.630
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -252.047600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.047600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.047600 (E_RNA)
where:
Base-Base interactions energy: -175.380
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.212
local terms energy: -76.455621
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -214.837872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.837872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.837872 (E_RNA)
where:
Base-Base interactions energy: -147.814
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.121
local terms energy: -66.903518
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -236.275941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.275941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.275941 (E_RNA)
where:
Base-Base interactions energy: -152.664
where: short stacking energy: -74.723
Base-Backbone interact. energy: -0.241
local terms energy: -83.370957
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -177.351496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.351496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.351496 (E_RNA)
where:
Base-Base interactions energy: -112.276
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.013
local terms energy: -65.062031
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -9.817
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: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -151.013528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.013528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.013528 (E_RNA)
where:
Base-Base interactions energy: -84.100
where: short stacking energy: -44.918
Base-Backbone interact. energy: -0.021
local terms energy: -66.892838
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -12.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -98.416912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.416912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.416912 (E_RNA)
where:
Base-Base interactions energy: -33.953
where: short stacking energy: -33.953
Base-Backbone interact. energy: -0.473
local terms energy: -63.991589
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -98.561846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.561846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.561846 (E_RNA)
where:
Base-Base interactions energy: -39.965
where: short stacking energy: -33.084
Base-Backbone interact. energy: -0.118
local terms energy: -58.478630
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -83.008143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.008143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.008143 (E_RNA)
where:
Base-Base interactions energy: -30.074
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.010
local terms energy: -52.924455
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -7.053
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: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -79.507752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.507752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.507752 (E_RNA)
where:
Base-Base interactions energy: -28.328
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.342
local terms energy: -50.838445
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -254.505151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.505151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.505151 (E_RNA)
where:
Base-Base interactions energy: -176.045
where: short stacking energy: -66.364
Base-Backbone interact. energy: 0.860
local terms energy: -79.320052
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -256.851091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.851091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.851091 (E_RNA)
where:
Base-Base interactions energy: -177.167
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.353
local terms energy: -79.330962
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -240.193551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.193551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.193551 (E_RNA)
where:
Base-Base interactions energy: -162.208
where: short stacking energy: -73.077
Base-Backbone interact. energy: -1.532
local terms energy: -76.453133
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -10.046
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: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -197.867626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.867626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.867626 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -55.853
Base-Backbone interact. energy: -0.022
local terms energy: -76.721614
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -148.039326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.039326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.039326 (E_RNA)
where:
Base-Base interactions energy: -79.364
where: short stacking energy: -50.659
Base-Backbone interact. energy: -0.624
local terms energy: -68.051721
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -11.039
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: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -178.530982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.530982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.530982 (E_RNA)
where:
Base-Base interactions energy: -111.194
where: short stacking energy: -56.445
Base-Backbone interact. energy: -0.081
local terms energy: -67.256766
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -9.828
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: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -115.483694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.483694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.483694 (E_RNA)
where:
Base-Base interactions energy: -57.480
where: short stacking energy: -30.786
Base-Backbone interact. energy: 0.793
local terms energy: -58.795985
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -97.052857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.052857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.052857 (E_RNA)
where:
Base-Base interactions energy: -38.398
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.126
local terms energy: -58.529105
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -87.067289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067289 (E_RNA)
where:
Base-Base interactions energy: -31.314
where: short stacking energy: -30.774
Base-Backbone interact. energy: -0.147
local terms energy: -55.606012
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -4.980
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: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -85.123070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.123070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.123070 (E_RNA)
where:
Base-Base interactions energy: -38.830
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.102
local terms energy: -46.191116
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -254.741054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.741054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.741054 (E_RNA)
where:
Base-Base interactions energy: -179.067
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.022
local terms energy: -75.651986
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -14.088
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -250.120940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.120940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.120940 (E_RNA)
where:
Base-Base interactions energy: -175.655
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.051
local terms energy: -74.414419
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -245.176448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.176448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.176448 (E_RNA)
where:
Base-Base interactions energy: -167.969
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.165
local terms energy: -77.042004
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.475
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: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -192.789187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.789187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.789187 (E_RNA)
where:
Base-Base interactions energy: -118.573
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.034
local terms energy: -74.181908
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -111.747137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.747137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.747137 (E_RNA)
where:
Base-Base interactions energy: -50.382
where: short stacking energy: -42.116
Base-Backbone interact. energy: -1.342
local terms energy: -60.022955
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -180.470801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.470801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.470801 (E_RNA)
where:
Base-Base interactions energy: -112.471
where: short stacking energy: -51.299
Base-Backbone interact. energy: -0.068
local terms energy: -67.932240
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -136.241664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.241664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.241664 (E_RNA)
where:
Base-Base interactions energy: -75.941
where: short stacking energy: -41.832
Base-Backbone interact. energy: -0.366
local terms energy: -59.934616
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -105.623742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.623742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.623742 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -44.185
Base-Backbone interact. energy: -0.104
local terms energy: -59.761628
where:
bonds (distance) C4'-P energy: -7.687
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -8.274
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: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -90.855627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.855627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.855627 (E_RNA)
where:
Base-Base interactions energy: -37.102
where: short stacking energy: -37.102
Base-Backbone interact. energy: -0.078
local terms energy: -53.675795
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -8.845
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -84.626019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.626019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.626019 (E_RNA)
where:
Base-Base interactions energy: -31.221
where: short stacking energy: -31.221
Base-Backbone interact. energy: -0.152
local terms energy: -53.252593
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -8.947
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: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -249.333260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.333260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.333260 (E_RNA)
where:
Base-Base interactions energy: -170.152
where: short stacking energy: -53.602
Base-Backbone interact. energy: -0.698
local terms energy: -78.483342
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -255.970441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.970441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.970441 (E_RNA)
where:
Base-Base interactions energy: -173.201
where: short stacking energy: -74.219
Base-Backbone interact. energy: -0.619
local terms energy: -82.151326
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -249.138616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.138616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.138616 (E_RNA)
where:
Base-Base interactions energy: -173.567
where: short stacking energy: -75.169
Base-Backbone interact. energy: -0.943
local terms energy: -74.627988
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -198.875102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.875102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.875102 (E_RNA)
where:
Base-Base interactions energy: -127.353
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.041
local terms energy: -71.481983
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.649
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: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -208.350580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.350580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.350580 (E_RNA)
where:
Base-Base interactions energy: -128.161
where: short stacking energy: -76.487
Base-Backbone interact. energy: -0.014
local terms energy: -80.176009
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -23.251
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: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -104.099873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.099873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.099873 (E_RNA)
where:
Base-Base interactions energy: -50.237
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.155
local terms energy: -53.707702
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -143.154485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.154485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.154485 (E_RNA)
where:
Base-Base interactions energy: -82.669
where: short stacking energy: -30.576
Base-Backbone interact. energy: -1.175
local terms energy: -59.310345
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -101.240506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.240506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.240506 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -41.767
Base-Backbone interact. energy: -0.461
local terms energy: -57.677060
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -7.498
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: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -80.407724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.407724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.407724 (E_RNA)
where:
Base-Base interactions energy: -26.969
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.254
local terms energy: -53.184040
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -91.077288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.077288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.077288 (E_RNA)
where:
Base-Base interactions energy: -30.874
where: short stacking energy: -30.727
Base-Backbone interact. energy: -0.001
local terms energy: -60.201876
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -253.540091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.540091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.540091 (E_RNA)
where:
Base-Base interactions energy: -173.055
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.432
local terms energy: -80.053286
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -253.629685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.629685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.629685 (E_RNA)
where:
Base-Base interactions energy: -177.002
where: short stacking energy: -74.844
Base-Backbone interact. energy: -0.035
local terms energy: -76.592738
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -250.927812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.927812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.927812 (E_RNA)
where:
Base-Base interactions energy: -178.507
where: short stacking energy: -75.820
Base-Backbone interact. energy: -0.224
local terms energy: -72.197440
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -195.590020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.590020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.590020 (E_RNA)
where:
Base-Base interactions energy: -123.610
where: short stacking energy: -58.893
Base-Backbone interact. energy: 0.153
local terms energy: -72.133221
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -194.881599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.881599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.881599 (E_RNA)
where:
Base-Base interactions energy: -131.436
where: short stacking energy: -62.039
Base-Backbone interact. energy: 0.681
local terms energy: -64.126598
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -146.853985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.853985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.853985 (E_RNA)
where:
Base-Base interactions energy: -93.424
where: short stacking energy: -46.341
Base-Backbone interact. energy: -0.503
local terms energy: -52.926971
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -2.336
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -102.064191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.064191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.064191 (E_RNA)
where:
Base-Base interactions energy: -43.137
where: short stacking energy: -38.174
Base-Backbone interact. energy: -0.009
local terms energy: -58.918311
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -8.964
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: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -87.633130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.633130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.633130 (E_RNA)
where:
Base-Base interactions energy: -31.745
where: short stacking energy: -29.278
Base-Backbone interact. energy: -0.102
local terms energy: -55.785399
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -104.632916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.632916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.632916 (E_RNA)
where:
Base-Base interactions energy: -50.883
where: short stacking energy: -25.871
Base-Backbone interact. energy: -0.234
local terms energy: -53.515495
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -86.155843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.155843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.155843 (E_RNA)
where:
Base-Base interactions energy: -36.736
where: short stacking energy: -35.974
Base-Backbone interact. energy: 0.267
local terms energy: -49.687136
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -5.470
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -258.931806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.931806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.931806 (E_RNA)
where:
Base-Base interactions energy: -182.606
where: short stacking energy: -73.965
Base-Backbone interact. energy: -0.111
local terms energy: -76.215075
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -251.149406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.149406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.149406 (E_RNA)
where:
Base-Base interactions energy: -179.853
where: short stacking energy: -70.054
Base-Backbone interact. energy: -0.559
local terms energy: -70.737327
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -257.964706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.964706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.964706 (E_RNA)
where:
Base-Base interactions energy: -180.044
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.399
local terms energy: -77.521519
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -200.425996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.425996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.425996 (E_RNA)
where:
Base-Base interactions energy: -128.201
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.725
local terms energy: -71.500145
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -163.030700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.030700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.030700 (E_RNA)
where:
Base-Base interactions energy: -98.841
where: short stacking energy: -45.774
Base-Backbone interact. energy: -0.117
local terms energy: -64.073348
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -5.485
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: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -204.132146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.132146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.132146 (E_RNA)
where:
Base-Base interactions energy: -139.214
where: short stacking energy: -65.618
Base-Backbone interact. energy: -0.015
local terms energy: -64.903236
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -104.013361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.013361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.013361 (E_RNA)
where:
Base-Base interactions energy: -48.080
where: short stacking energy: -37.480
Base-Backbone interact. energy: -0.164
local terms energy: -55.769588
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -2.048
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -96.897147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.897147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.897147 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.831
local terms energy: -50.550771
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -10.963
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: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -96.769139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.769139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.769139 (E_RNA)
where:
Base-Base interactions energy: -34.363
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.092
local terms energy: -62.314320
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -85.585718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.585718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.585718 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -32.933
Base-Backbone interact. energy: -0.244
local terms energy: -50.967598
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -243.187932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.187932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.187932 (E_RNA)
where:
Base-Base interactions energy: -163.761
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.018
local terms energy: -79.409126
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -249.623789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.623789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.623789 (E_RNA)
where:
Base-Base interactions energy: -171.063
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.091
local terms energy: -78.469515
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -19.107
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: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -240.593262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.593262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.593262 (E_RNA)
where:
Base-Base interactions energy: -166.070
where: short stacking energy: -59.299
Base-Backbone interact. energy: -1.378
local terms energy: -73.145083
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -195.251321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.251321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.251321 (E_RNA)
where:
Base-Base interactions energy: -114.601
where: short stacking energy: -68.419
Base-Backbone interact. energy: -0.065
local terms energy: -80.584760
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -23.368
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -189.136326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.136326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.136326 (E_RNA)
where:
Base-Base interactions energy: -114.727
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.615
local terms energy: -73.795126
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -201.234779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.234779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.234779 (E_RNA)
where:
Base-Base interactions energy: -135.949
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.596
local terms energy: -64.689946
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -107.061164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.061164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.061164 (E_RNA)
where:
Base-Base interactions energy: -53.479
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.082
local terms energy: -53.500628
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -93.485302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.485302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.485302 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -30.186
Base-Backbone interact. energy: 2.217
local terms energy: -65.516445
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -89.283112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.283112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.283112 (E_RNA)
where:
Base-Base interactions energy: -40.966
where: short stacking energy: -37.702
Base-Backbone interact. energy: -0.127
local terms energy: -48.189973
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -4.590
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: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.383004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.383004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.383004 (E_RNA)
where:
Base-Base interactions energy: -32.773
where: short stacking energy: -22.897
Base-Backbone interact. energy: -1.095
local terms energy: -43.515141
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: 1.955
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: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -253.216187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.216187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.216187 (E_RNA)
where:
Base-Base interactions energy: -179.380
where: short stacking energy: -70.530
Base-Backbone interact. energy: -0.072
local terms energy: -73.764313
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -18.989
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: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -247.594906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.594906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.594906 (E_RNA)
where:
Base-Base interactions energy: -165.635
where: short stacking energy: -76.761
Base-Backbone interact. energy: -0.387
local terms energy: -81.572880
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -243.012391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.012391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.012391 (E_RNA)
where:
Base-Base interactions energy: -162.033
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.203
local terms energy: -80.776852
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -200.760166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.760166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.760166 (E_RNA)
where:
Base-Base interactions energy: -123.269
where: short stacking energy: -73.196
Base-Backbone interact. energy: -0.075
local terms energy: -77.416630
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -13.145
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: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -192.843526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.843526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.843526 (E_RNA)
where:
Base-Base interactions energy: -122.132
where: short stacking energy: -58.371
Base-Backbone interact. energy: -0.369
local terms energy: -70.342433
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -13.747
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: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -189.444901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.444901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.444901 (E_RNA)
where:
Base-Base interactions energy: -117.000
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.617
local terms energy: -71.828518
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -16.226
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: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -100.119505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.119505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.119505 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.618
local terms energy: -61.522919
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -111.240646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.240646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.240646 (E_RNA)
where:
Base-Base interactions energy: -60.429
where: short stacking energy: -40.099
Base-Backbone interact. energy: 0.017
local terms energy: -50.828847
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -78.989950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.989950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.989950 (E_RNA)
where:
Base-Base interactions energy: -26.028
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.653
local terms energy: -52.308910
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: 0.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -93.850905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.850905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.850905 (E_RNA)
where:
Base-Base interactions energy: -40.425
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.340
local terms energy: -53.085619
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -250.364816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.364816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.364816 (E_RNA)
where:
Base-Base interactions energy: -169.568
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.164
local terms energy: -80.632824
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -240.129663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.129663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.129663 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -71.716
Base-Backbone interact. energy: -0.684
local terms energy: -81.198145
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -235.375403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.375403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.375403 (E_RNA)
where:
Base-Base interactions energy: -165.573
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.184
local terms energy: -69.618925
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -208.980574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.980574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.980574 (E_RNA)
where:
Base-Base interactions energy: -132.057
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.118
local terms energy: -76.806362
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -178.687846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.687846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.687846 (E_RNA)
where:
Base-Base interactions energy: -94.469
where: short stacking energy: -64.167
Base-Backbone interact. energy: -0.168
local terms energy: -84.050517
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -189.292903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.292903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.292903 (E_RNA)
where:
Base-Base interactions energy: -120.347
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.038
local terms energy: -68.908014
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -101.304033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.304033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.304033 (E_RNA)
where:
Base-Base interactions energy: -36.914
where: short stacking energy: -36.466
Base-Backbone interact. energy: -0.095
local terms energy: -64.295491
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -91.283690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.283690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.283690 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -24.207
Base-Backbone interact. energy: -0.215
local terms energy: -54.367143
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -89.044432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.044432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.044432 (E_RNA)
where:
Base-Base interactions energy: -32.140
where: short stacking energy: -28.579
Base-Backbone interact. energy: -0.708
local terms energy: -56.197093
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -91.093953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.093953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.093953 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -37.505
Base-Backbone interact. energy: -0.051
local terms energy: -53.538516
where:
bonds (distance) C4'-P energy: -5.573
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -6.965
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: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -259.649328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.649328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.649328 (E_RNA)
where:
Base-Base interactions energy: -172.956
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.392
local terms energy: -86.301472
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -18.791
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: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -231.161092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.161092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.161092 (E_RNA)
where:
Base-Base interactions energy: -158.998
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.456
local terms energy: -71.707385
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -239.355681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.355681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.355681 (E_RNA)
where:
Base-Base interactions energy: -161.158
where: short stacking energy: -70.820
Base-Backbone interact. energy: 0.661
local terms energy: -78.859040
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -199.620849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.620849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.620849 (E_RNA)
where:
Base-Base interactions energy: -124.181
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.012
local terms energy: -75.427728
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -13.014
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: 284
Temperature: 1.100000
Total energy: -170.087966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.087966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.087966 (E_RNA)
where:
Base-Base interactions energy: -105.084
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.228
local terms energy: -64.775908
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -7.127
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: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -177.695628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.695628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.695628 (E_RNA)
where:
Base-Base interactions energy: -119.054
where: short stacking energy: -50.407
Base-Backbone interact. energy: -0.162
local terms energy: -58.479416
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -7.025
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: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -97.554861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.554861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.554861 (E_RNA)
where:
Base-Base interactions energy: -41.966
where: short stacking energy: -37.324
Base-Backbone interact. energy: -0.544
local terms energy: -55.044550
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -7.233
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -92.598301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.598301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.598301 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.130
local terms energy: -54.065869
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.158
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -92.917148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.917148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.917148 (E_RNA)
where:
Base-Base interactions energy: -35.542
where: short stacking energy: -28.297
Base-Backbone interact. energy: -0.281
local terms energy: -57.094437
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -12.033
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: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -99.233144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.233144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.233144 (E_RNA)
where:
Base-Base interactions energy: -47.693
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.404
local terms energy: -51.135599
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -254.282428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.282428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.282428 (E_RNA)
where:
Base-Base interactions energy: -181.238
where: short stacking energy: -72.919
Base-Backbone interact. energy: -0.724
local terms energy: -72.320597
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -17.808
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: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -261.809129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.809129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.809129 (E_RNA)
where:
Base-Base interactions energy: -186.073
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.338
local terms energy: -75.397843
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -234.413915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.413915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.413915 (E_RNA)
where:
Base-Base interactions energy: -157.533
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.594
local terms energy: -76.287387
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -178.628227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.628227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.628227 (E_RNA)
where:
Base-Base interactions energy: -106.498
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.119
local terms energy: -72.010810
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -165.972221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.972221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.972221 (E_RNA)
where:
Base-Base interactions energy: -96.933
where: short stacking energy: -53.270
Base-Backbone interact. energy: -1.098
local terms energy: -67.940862
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -188.524315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.524315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.524315 (E_RNA)
where:
Base-Base interactions energy: -117.071
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.035
local terms energy: -71.418294
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -95.853675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.853675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.853675 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -39.923
Base-Backbone interact. energy: -0.197
local terms energy: -55.734289
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -12.324
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: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -87.774650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.774650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.774650 (E_RNA)
where:
Base-Base interactions energy: -32.554
where: short stacking energy: -22.372
Base-Backbone interact. energy: -0.101
local terms energy: -55.119776
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -97.523948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.523948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.523948 (E_RNA)
where:
Base-Base interactions energy: -33.615
where: short stacking energy: -33.369
Base-Backbone interact. energy: 0.441
local terms energy: -64.350117
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -80.444102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.444102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.444102 (E_RNA)
where:
Base-Base interactions energy: -34.044
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.106
local terms energy: -46.294542
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -253.250503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.250503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.250503 (E_RNA)
where:
Base-Base interactions energy: -179.587
where: short stacking energy: -75.001
Base-Backbone interact. energy: 0.059
local terms energy: -73.722835
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -258.019446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.019446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.019446 (E_RNA)
where:
Base-Base interactions energy: -179.748
where: short stacking energy: -69.873
Base-Backbone interact. energy: -1.115
local terms energy: -77.156772
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -238.684074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.684074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.684074 (E_RNA)
where:
Base-Base interactions energy: -151.673
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.456
local terms energy: -86.555625
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -196.651925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.651925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.651925 (E_RNA)
where:
Base-Base interactions energy: -125.822
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.158
local terms energy: -70.672259
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -8.098
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: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -178.116303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.116303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.116303 (E_RNA)
where:
Base-Base interactions energy: -109.656
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.003
local terms energy: -68.457417
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -157.065890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.065890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.065890 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -53.525
Base-Backbone interact. energy: -0.001
local terms energy: -69.260569
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -97.115501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.115501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.115501 (E_RNA)
where:
Base-Base interactions energy: -37.464
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.063
local terms energy: -59.588633
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -5.884
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: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -90.250111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.250111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.250111 (E_RNA)
where:
Base-Base interactions energy: -28.160
where: short stacking energy: -24.817
Base-Backbone interact. energy: -0.302
local terms energy: -61.788277
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -3.090
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: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -76.105722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.105722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.105722 (E_RNA)
where:
Base-Base interactions energy: -26.797
where: short stacking energy: -26.797
Base-Backbone interact. energy: -0.498
local terms energy: -48.810442
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -79.428028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.428028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.428028 (E_RNA)
where:
Base-Base interactions energy: -33.329
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.279
local terms energy: -45.820433
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -253.792436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.792436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.792436 (E_RNA)
where:
Base-Base interactions energy: -176.970
where: short stacking energy: -70.015
Base-Backbone interact. energy: 0.124
local terms energy: -76.946895
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -12.492
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: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -247.157560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.157560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.157560 (E_RNA)
where:
Base-Base interactions energy: -166.074
where: short stacking energy: -73.594
Base-Backbone interact. energy: -0.101
local terms energy: -80.983020
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -13.714
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: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -235.307437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.307437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.307437 (E_RNA)
where:
Base-Base interactions energy: -155.461
where: short stacking energy: -67.410
Base-Backbone interact. energy: 0.815
local terms energy: -80.660844
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -191.934591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.934591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.934591 (E_RNA)
where:
Base-Base interactions energy: -122.450
where: short stacking energy: -64.065
Base-Backbone interact. energy: 1.398
local terms energy: -70.882450
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -189.741150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.741150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.741150 (E_RNA)
where:
Base-Base interactions energy: -116.525
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.002
local terms energy: -73.213659
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -159.700495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.700495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.700495 (E_RNA)
where:
Base-Base interactions energy: -92.927
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.184
local terms energy: -66.589653
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -11.278
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: 287
Temperature: 1.200000
Total energy: -160.520818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.520818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.520818 (E_RNA)
where:
Base-Base interactions energy: -89.333
where: short stacking energy: -42.016
Base-Backbone interact. energy: -0.177
local terms energy: -71.010140
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -85.898177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.898177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.898177 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.637
local terms energy: -46.321166
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -1.374
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: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -87.413044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.413044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.413044 (E_RNA)
where:
Base-Base interactions energy: -32.685
where: short stacking energy: -31.135
Base-Backbone interact. energy: -0.111
local terms energy: -54.617155
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -84.883089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.883089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.883089 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -30.270
Base-Backbone interact. energy: -0.223
local terms energy: -52.371868
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -263.140509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.140509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.140509 (E_RNA)
where:
Base-Base interactions energy: -189.184
where: short stacking energy: -65.190
Base-Backbone interact. energy: -0.938
local terms energy: -73.018920
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -15.521
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: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -253.364139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.364139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.364139 (E_RNA)
where:
Base-Base interactions energy: -166.553
where: short stacking energy: -67.212
Base-Backbone interact. energy: -0.342
local terms energy: -86.469735
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -232.344465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.344465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.344465 (E_RNA)
where:
Base-Base interactions energy: -149.647
where: short stacking energy: -72.002
Base-Backbone interact. energy: -0.551
local terms energy: -82.145996
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -190.152087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.152087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.152087 (E_RNA)
where:
Base-Base interactions energy: -128.199
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.621
local terms energy: -61.331813
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -158.419397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.419397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.419397 (E_RNA)
where:
Base-Base interactions energy: -96.618
where: short stacking energy: -47.876
Base-Backbone interact. energy: -0.594
local terms energy: -61.207280
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -198.343945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.343945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.343945 (E_RNA)
where:
Base-Base interactions energy: -139.000
where: short stacking energy: -67.300
Base-Backbone interact. energy: -0.032
local terms energy: -59.312350
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -137.519768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.519768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.519768 (E_RNA)
where:
Base-Base interactions energy: -82.713
where: short stacking energy: -48.923
Base-Backbone interact. energy: -0.101
local terms energy: -54.706103
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -88.608363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.608363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.608363 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.034
local terms energy: -54.855158
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -97.416462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.416462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.416462 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -22.705
Base-Backbone interact. energy: -0.135
local terms energy: -61.556319
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -75.116822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.116822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.116822 (E_RNA)
where:
Base-Base interactions energy: -27.393
where: short stacking energy: -27.019
Base-Backbone interact. energy: 3.144
local terms energy: -50.867555
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -262.623550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.623550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.623550 (E_RNA)
where:
Base-Base interactions energy: -187.901
where: short stacking energy: -71.982
Base-Backbone interact. energy: 0.751
local terms energy: -75.473481
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -246.857200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.857200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.857200 (E_RNA)
where:
Base-Base interactions energy: -167.904
where: short stacking energy: -67.356
Base-Backbone interact. energy: -0.114
local terms energy: -78.839822
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -228.136605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.136605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.136605 (E_RNA)
where:
Base-Base interactions energy: -147.665
where: short stacking energy: -68.541
Base-Backbone interact. energy: -0.198
local terms energy: -80.273228
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -191.370283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.370283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.370283 (E_RNA)
where:
Base-Base interactions energy: -121.208
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.347
local terms energy: -69.815468
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -180.076566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.076566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.076566 (E_RNA)
where:
Base-Base interactions energy: -101.670
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.053
local terms energy: -78.353397
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -197.576620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.576620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.576620 (E_RNA)
where:
Base-Base interactions energy: -138.083
where: short stacking energy: -60.992
Base-Backbone interact. energy: -0.011
local terms energy: -59.482456
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -11.944
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: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -109.256306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.256306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.256306 (E_RNA)
where:
Base-Base interactions energy: -50.441
where: short stacking energy: -35.288
Base-Backbone interact. energy: -0.036
local terms energy: -58.779291
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -5.894
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: 289
Temperature: 1.250000
Total energy: -90.688029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.688029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.688029 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -38.800
Base-Backbone interact. energy: -1.397
local terms energy: -49.536208
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -84.987690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.987690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.987690 (E_RNA)
where:
Base-Base interactions energy: -28.290
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.061
local terms energy: -56.636600
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -90.737317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.737317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.737317 (E_RNA)
where:
Base-Base interactions energy: -39.795
where: short stacking energy: -39.795
Base-Backbone interact. energy: 1.213
local terms energy: -52.154623
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -255.894302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.894302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.894302 (E_RNA)
where:
Base-Base interactions energy: -176.201
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.107
local terms energy: -79.586858
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -21.394
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: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -249.958334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.958334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.958334 (E_RNA)
where:
Base-Base interactions energy: -183.640
where: short stacking energy: -66.875
Base-Backbone interact. energy: 0.406
local terms energy: -66.724233
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -232.169617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.169617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.169617 (E_RNA)
where:
Base-Base interactions energy: -157.374
where: short stacking energy: -65.240
Base-Backbone interact. energy: -1.146
local terms energy: -73.649791
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -6.822
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: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -199.292068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.292068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.292068 (E_RNA)
where:
Base-Base interactions energy: -126.480
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.006
local terms energy: -72.805575
where:
bonds (distance) C4'-P energy: -8.056
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -205.323954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.323954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.323954 (E_RNA)
where:
Base-Base interactions energy: -138.681
where: short stacking energy: -61.255
Base-Backbone interact. energy: -0.109
local terms energy: -66.533325
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -9.150
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: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -150.762042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.762042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.762042 (E_RNA)
where:
Base-Base interactions energy: -89.619
where: short stacking energy: -52.774
Base-Backbone interact. energy: -0.077
local terms energy: -61.066430
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -123.945760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.945760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.945760 (E_RNA)
where:
Base-Base interactions energy: -50.259
where: short stacking energy: -45.718
Base-Backbone interact. energy: -0.043
local terms energy: -73.643783
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -9.740
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: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -89.500000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.500000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.500000 (E_RNA)
where:
Base-Base interactions energy: -29.712
where: short stacking energy: -29.712
Base-Backbone interact. energy: -0.056
local terms energy: -59.732043
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -91.476388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.476388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.476388 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -34.635
Base-Backbone interact. energy: -0.175
local terms energy: -53.906513
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -1.727
tors. eta vs tors. theta energy: -4.093
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: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -85.332028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.332028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.332028 (E_RNA)
where:
Base-Base interactions energy: -31.668
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.072
local terms energy: -53.592037
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -259.992848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.992848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.992848 (E_RNA)
where:
Base-Base interactions energy: -176.903
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.733
local terms energy: -82.357515
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -13.434
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: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -251.138645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.138645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.138645 (E_RNA)
where:
Base-Base interactions energy: -173.249
where: short stacking energy: -64.695
Base-Backbone interact. energy: -1.155
local terms energy: -76.735196
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.348
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: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -227.367284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.367284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.367284 (E_RNA)
where:
Base-Base interactions energy: -153.718
where: short stacking energy: -71.963
Base-Backbone interact. energy: -1.071
local terms energy: -72.578016
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -9.318
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: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -192.895177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.895177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.895177 (E_RNA)
where:
Base-Base interactions energy: -119.057
where: short stacking energy: -57.775
Base-Backbone interact. energy: -1.227
local terms energy: -72.612094
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -190.641550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.641550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.641550 (E_RNA)
where:
Base-Base interactions energy: -116.475
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.175
local terms energy: -73.990831
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -9.519
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: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -175.075725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075725 (E_RNA)
where:
Base-Base interactions energy: -108.524
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.145
local terms energy: -66.406357
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -8.034
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: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -96.094765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.094765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.094765 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -29.314
Base-Backbone interact. energy: -0.242
local terms energy: -49.115787
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -98.585352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.585352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.585352 (E_RNA)
where:
Base-Base interactions energy: -44.820
where: short stacking energy: -39.110
Base-Backbone interact. energy: -0.295
local terms energy: -53.470495
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -5.546
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: 291
Temperature: 1.300000
Total energy: -90.932727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.932727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.932727 (E_RNA)
where:
Base-Base interactions energy: -32.849
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.307
local terms energy: -57.777319
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -0.709
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -82.785265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.785265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.785265 (E_RNA)
where:
Base-Base interactions energy: -27.490
where: short stacking energy: -25.656
Base-Backbone interact. energy: -0.524
local terms energy: -54.770788
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -3.199
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: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -254.718173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.718173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.718173 (E_RNA)
where:
Base-Base interactions energy: -176.809
where: short stacking energy: -61.623
Base-Backbone interact. energy: -0.676
local terms energy: -77.233723
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -250.789142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.789142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.789142 (E_RNA)
where:
Base-Base interactions energy: -180.307
where: short stacking energy: -72.911
Base-Backbone interact. energy: 0.600
local terms energy: -71.081893
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -227.407276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.407276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.407276 (E_RNA)
where:
Base-Base interactions energy: -159.608
where: short stacking energy: -67.958
Base-Backbone interact. energy: -0.968
local terms energy: -66.831924
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.158
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: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -191.430819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.430819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.430819 (E_RNA)
where:
Base-Base interactions energy: -120.143
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.168
local terms energy: -71.120159
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -13.191
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: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -187.372084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372084 (E_RNA)
where:
Base-Base interactions energy: -121.664
where: short stacking energy: -57.151
Base-Backbone interact. energy: -0.010
local terms energy: -65.697745
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -10.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -152.602981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.602981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.602981 (E_RNA)
where:
Base-Base interactions energy: -93.035
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.001
local terms energy: -59.567385
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -1.160
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -101.708313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.708313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.708313 (E_RNA)
where:
Base-Base interactions energy: -39.336
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.046
local terms energy: -62.325975
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -86.549266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.549266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.549266 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.187
local terms energy: -49.878489
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: 0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -86.879168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.879168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.879168 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.046
local terms energy: -53.739908
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -76.794527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.794527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.794527 (E_RNA)
where:
Base-Base interactions energy: -25.968
where: short stacking energy: -16.735
Base-Backbone interact. energy: -1.416
local terms energy: -49.410515
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -254.184290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.184290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.184290 (E_RNA)
where:
Base-Base interactions energy: -180.576
where: short stacking energy: -61.178
Base-Backbone interact. energy: 0.104
local terms energy: -73.712177
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -240.137790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.137790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.137790 (E_RNA)
where:
Base-Base interactions energy: -163.262
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.036
local terms energy: -76.839590
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -17.489
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: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -256.550245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.550245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.550245 (E_RNA)
where:
Base-Base interactions energy: -173.794
where: short stacking energy: -74.394
Base-Backbone interact. energy: -0.302
local terms energy: -82.454461
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -199.953507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.953507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.953507 (E_RNA)
where:
Base-Base interactions energy: -131.494
where: short stacking energy: -72.038
Base-Backbone interact. energy: -0.242
local terms energy: -68.217579
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -4.990
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -194.683347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.683347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.683347 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.002
local terms energy: -67.902343
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -112.171348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.171348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.171348 (E_RNA)
where:
Base-Base interactions energy: -48.015
where: short stacking energy: -48.015
Base-Backbone interact. energy: -1.463
local terms energy: -62.692867
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -113.820647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.820647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.820647 (E_RNA)
where:
Base-Base interactions energy: -54.586
where: short stacking energy: -34.765
Base-Backbone interact. energy: -0.093
local terms energy: -59.141256
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -98.594896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.594896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.594896 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -30.578
Base-Backbone interact. energy: 1.171
local terms energy: -66.586658
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -6.061
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: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -82.643787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.643787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.643787 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -29.091
Base-Backbone interact. energy: -1.469
local terms energy: -49.431802
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -90.744763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.744763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.744763 (E_RNA)
where:
Base-Base interactions energy: -47.630
where: short stacking energy: -32.175
Base-Backbone interact. energy: 0.461
local terms energy: -43.575966
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -257.765365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.765365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.765365 (E_RNA)
where:
Base-Base interactions energy: -183.410
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.759
local terms energy: -73.595888
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -227.470766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.470766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.470766 (E_RNA)
where:
Base-Base interactions energy: -150.667
where: short stacking energy: -72.532
Base-Backbone interact. energy: -0.384
local terms energy: -76.420480
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -244.710522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.710522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.710522 (E_RNA)
where:
Base-Base interactions energy: -168.078
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.083
local terms energy: -76.549353
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -194.140973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.140973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.140973 (E_RNA)
where:
Base-Base interactions energy: -119.335
where: short stacking energy: -65.413
Base-Backbone interact. energy: 0.164
local terms energy: -74.969950
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.426
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: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -185.903029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.903029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.903029 (E_RNA)
where:
Base-Base interactions energy: -111.650
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.052
local terms energy: -74.200533
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -108.132455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.132455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.132455 (E_RNA)
where:
Base-Base interactions energy: -49.152
where: short stacking energy: -38.044
Base-Backbone interact. energy: -0.900
local terms energy: -58.080888
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -107.984296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.984296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.984296 (E_RNA)
where:
Base-Base interactions energy: -44.814
where: short stacking energy: -24.715
Base-Backbone interact. energy: -0.707
local terms energy: -62.463380
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -106.904971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.904971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.904971 (E_RNA)
where:
Base-Base interactions energy: -57.085
where: short stacking energy: -42.160
Base-Backbone interact. energy: -0.133
local terms energy: -49.686224
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -82.803427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.803427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.803427 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.150
local terms energy: -49.114531
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -5.474
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -88.398920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.398920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.398920 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.001
local terms energy: -56.699873
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -10.476
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: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -259.854736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.854736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.854736 (E_RNA)
where:
Base-Base interactions energy: -184.629
where: short stacking energy: -72.207
Base-Backbone interact. energy: 0.021
local terms energy: -75.246773
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -252.526096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.526096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.526096 (E_RNA)
where:
Base-Base interactions energy: -173.655
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.080
local terms energy: -78.791413
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -18.780
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: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -222.311674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.311674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.311674 (E_RNA)
where:
Base-Base interactions energy: -158.335
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.078
local terms energy: -63.898389
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -197.293103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.293103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.293103 (E_RNA)
where:
Base-Base interactions energy: -123.564
where: short stacking energy: -53.762
Base-Backbone interact. energy: -0.901
local terms energy: -72.827753
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -182.374540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.374540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.374540 (E_RNA)
where:
Base-Base interactions energy: -117.629
where: short stacking energy: -45.405
Base-Backbone interact. energy: -0.042
local terms energy: -64.703480
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -108.019526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.019526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.019526 (E_RNA)
where:
Base-Base interactions energy: -52.923
where: short stacking energy: -40.108
Base-Backbone interact. energy: -0.149
local terms energy: -54.947926
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -101.005347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.005347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.005347 (E_RNA)
where:
Base-Base interactions energy: -40.977
where: short stacking energy: -26.376
Base-Backbone interact. energy: -0.252
local terms energy: -59.776456
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -11.003
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: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -89.499988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.499988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.499988 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -19.477
Base-Backbone interact. energy: 1.462
local terms energy: -55.898391
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -10.377
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: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -89.459812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.459812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.459812 (E_RNA)
where:
Base-Base interactions energy: -46.527
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.474
local terms energy: -42.459216
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: 1.517
tors. eta vs tors. theta energy: 0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -80.329072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.329072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.329072 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -26.849
Base-Backbone interact. energy: -0.358
local terms energy: -50.994957
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -1.258
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: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -247.024063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.024063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.024063 (E_RNA)
where:
Base-Base interactions energy: -168.746
where: short stacking energy: -76.562
Base-Backbone interact. energy: -0.931
local terms energy: -77.347172
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -244.424252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.424252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.424252 (E_RNA)
where:
Base-Base interactions energy: -173.207
where: short stacking energy: -71.333
Base-Backbone interact. energy: 3.754
local terms energy: -74.971183
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.249
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: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -216.170373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170373 (E_RNA)
where:
Base-Base interactions energy: -137.299
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.503
local terms energy: -78.368097
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -193.808084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.808084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.808084 (E_RNA)
where:
Base-Base interactions energy: -127.854
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.352
local terms energy: -65.602633
where:
bonds (distance) C4'-P energy: -7.147
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -181.052386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.052386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.052386 (E_RNA)
where:
Base-Base interactions energy: -114.390
where: short stacking energy: -44.625
Base-Backbone interact. energy: -0.275
local terms energy: -66.387360
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -8.773
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: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -135.783685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.783685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.783685 (E_RNA)
where:
Base-Base interactions energy: -72.058
where: short stacking energy: -47.162
Base-Backbone interact. energy: 0.020
local terms energy: -63.746109
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -10.585
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: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -102.560015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.560015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.560015 (E_RNA)
where:
Base-Base interactions energy: -48.681
where: short stacking energy: -41.087
Base-Backbone interact. energy: 0.721
local terms energy: -54.599872
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -6.345
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: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -103.154882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.154882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.154882 (E_RNA)
where:
Base-Base interactions energy: -44.842
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.163
local terms energy: -58.150459
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -96.176316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.176316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.176316 (E_RNA)
where:
Base-Base interactions energy: -48.277
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.087
local terms energy: -47.811795
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -76.287672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.287672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.287672 (E_RNA)
where:
Base-Base interactions energy: -24.493
where: short stacking energy: -16.678
Base-Backbone interact. energy: -0.427
local terms energy: -51.368342
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: 4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -251.902895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.902895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.902895 (E_RNA)
where:
Base-Base interactions energy: -181.099
where: short stacking energy: -67.873
Base-Backbone interact. energy: -0.366
local terms energy: -70.437407
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -239.629993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.629993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.629993 (E_RNA)
where:
Base-Base interactions energy: -164.291
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.244
local terms energy: -75.094625
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -11.825
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: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -225.982201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.982201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.982201 (E_RNA)
where:
Base-Base interactions energy: -147.817
where: short stacking energy: -75.778
Base-Backbone interact. energy: 3.196
local terms energy: -81.360903
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -11.851
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: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -198.344062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.344062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.344062 (E_RNA)
where:
Base-Base interactions energy: -128.652
where: short stacking energy: -63.982
Base-Backbone interact. energy: -0.171
local terms energy: -69.520157
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.217
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: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -185.125893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.125893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.125893 (E_RNA)
where:
Base-Base interactions energy: -123.924
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.055
local terms energy: -61.147693
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -106.922549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.922549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.922549 (E_RNA)
where:
Base-Base interactions energy: -43.296
where: short stacking energy: -29.315
Base-Backbone interact. energy: -1.140
local terms energy: -62.486529
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -8.583
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: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -145.019200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.019200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.019200 (E_RNA)
where:
Base-Base interactions energy: -86.396
where: short stacking energy: -43.019
Base-Backbone interact. energy: -0.244
local terms energy: -58.379866
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -86.039360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.039360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.039360 (E_RNA)
where:
Base-Base interactions energy: -32.782
where: short stacking energy: -32.782
Base-Backbone interact. energy: -0.138
local terms energy: -53.119223
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -79.574717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.574717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.574717 (E_RNA)
where:
Base-Base interactions energy: -25.736
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.296
local terms energy: -53.542510
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -86.220864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.220864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.220864 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -24.842
Base-Backbone interact. energy: -0.186
local terms energy: -40.865755
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -246.770092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.770092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.770092 (E_RNA)
where:
Base-Base interactions energy: -168.201
where: short stacking energy: -75.049
Base-Backbone interact. energy: -0.276
local terms energy: -78.292570
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -237.567329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.567329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.567329 (E_RNA)
where:
Base-Base interactions energy: -162.520
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.882
local terms energy: -74.165443
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -12.588
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: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -222.725803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.725803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.725803 (E_RNA)
where:
Base-Base interactions energy: -154.841
where: short stacking energy: -68.553
Base-Backbone interact. energy: 0.239
local terms energy: -68.123864
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -12.154
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: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -205.498859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.498859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.498859 (E_RNA)
where:
Base-Base interactions energy: -128.581
where: short stacking energy: -61.208
Base-Backbone interact. energy: -0.233
local terms energy: -76.685247
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -192.429533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.429533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.429533 (E_RNA)
where:
Base-Base interactions energy: -110.841
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.025
local terms energy: -81.563723
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -14.343
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: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -111.083601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.083601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.083601 (E_RNA)
where:
Base-Base interactions energy: -59.555
where: short stacking energy: -37.623
Base-Backbone interact. energy: -0.216
local terms energy: -51.312310
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -5.053
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: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -141.084983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.084983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.084983 (E_RNA)
where:
Base-Base interactions energy: -82.946
where: short stacking energy: -43.413
Base-Backbone interact. energy: 2.623
local terms energy: -60.761379
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -89.248288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.248288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.248288 (E_RNA)
where:
Base-Base interactions energy: -31.235
where: short stacking energy: -21.781
Base-Backbone interact. energy: -0.026
local terms energy: -57.987473
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -85.205111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.205111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.205111 (E_RNA)
where:
Base-Base interactions energy: -32.700
where: short stacking energy: -31.395
Base-Backbone interact. energy: -0.013
local terms energy: -52.492469
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -8.261
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: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -81.775203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775203 (E_RNA)
where:
Base-Base interactions energy: -31.321
where: short stacking energy: -31.321
Base-Backbone interact. energy: -0.006
local terms energy: -50.448444
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -248.753248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.753248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.753248 (E_RNA)
where:
Base-Base interactions energy: -169.324
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.339
local terms energy: -79.089696
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -240.872122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.872122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.872122 (E_RNA)
where:
Base-Base interactions energy: -160.716
where: short stacking energy: -58.974
Base-Backbone interact. energy: -1.075
local terms energy: -79.081150
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -213.054768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.054768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.054768 (E_RNA)
where:
Base-Base interactions energy: -141.257
where: short stacking energy: -54.901
Base-Backbone interact. energy: -0.530
local terms energy: -71.267957
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -204.230888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.230888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.230888 (E_RNA)
where:
Base-Base interactions energy: -120.291
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.654
local terms energy: -83.285335
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -11.570
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: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -179.830116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.830116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.830116 (E_RNA)
where:
Base-Base interactions energy: -110.400
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.115
local terms energy: -69.315110
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -151.398495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.398495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.398495 (E_RNA)
where:
Base-Base interactions energy: -91.351
where: short stacking energy: -38.009
Base-Backbone interact. energy: -0.149
local terms energy: -59.898229
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -136.341897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.341897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.341897 (E_RNA)
where:
Base-Base interactions energy: -74.414
where: short stacking energy: -38.608
Base-Backbone interact. energy: -0.085
local terms energy: -61.842823
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -8.360
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: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -90.465845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.465845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.465845 (E_RNA)
where:
Base-Base interactions energy: -29.335
where: short stacking energy: -28.639
Base-Backbone interact. energy: -0.136
local terms energy: -60.994720
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -87.001536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.001536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.001536 (E_RNA)
where:
Base-Base interactions energy: -28.417
where: short stacking energy: -28.417
Base-Backbone interact. energy: -0.049
local terms energy: -58.536041
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -86.212902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.212902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.212902 (E_RNA)
where:
Base-Base interactions energy: -36.577
where: short stacking energy: -36.577
Base-Backbone interact. energy: 1.494
local terms energy: -51.129552
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -7.556
flat angles P-C4'-P energy: -11.077
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: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -247.137379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.137379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.137379 (E_RNA)
where:
Base-Base interactions energy: -173.422
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.034
local terms energy: -73.681935
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -230.435724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.435724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.435724 (E_RNA)
where:
Base-Base interactions energy: -149.115
where: short stacking energy: -69.557
Base-Backbone interact. energy: -0.273
local terms energy: -81.048011
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -195.903873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.903873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.903873 (E_RNA)
where:
Base-Base interactions energy: -120.973
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.006
local terms energy: -74.923963
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -208.994534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.994534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.994534 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -68.049
Base-Backbone interact. energy: -0.063
local terms energy: -74.166540
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -19.537
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: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -156.937879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.937879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.937879 (E_RNA)
where:
Base-Base interactions energy: -85.969
where: short stacking energy: -53.676
Base-Backbone interact. energy: 0.543
local terms energy: -71.511714
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -166.105660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.105660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.105660 (E_RNA)
where:
Base-Base interactions energy: -107.724
where: short stacking energy: -38.370
Base-Backbone interact. energy: 0.253
local terms energy: -58.634253
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -5.672
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: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -164.445339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.445339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.445339 (E_RNA)
where:
Base-Base interactions energy: -91.099
where: short stacking energy: -47.805
Base-Backbone interact. energy: -0.259
local terms energy: -73.087062
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.630
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -87.046767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.046767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.046767 (E_RNA)
where:
Base-Base interactions energy: -31.124
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.582
local terms energy: -55.339933
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -5.755
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: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -85.285926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.285926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.285926 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.265
local terms energy: -52.885588
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -91.400223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.400223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.400223 (E_RNA)
where:
Base-Base interactions energy: -35.748
where: short stacking energy: -36.082
Base-Backbone interact. energy: -0.102
local terms energy: -55.549737
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -244.518204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.518204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.518204 (E_RNA)
where:
Base-Base interactions energy: -166.175
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.245
local terms energy: -78.097935
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -239.030149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.030149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.030149 (E_RNA)
where:
Base-Base interactions energy: -164.211
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.206
local terms energy: -74.613004
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -193.679830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.679830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.679830 (E_RNA)
where:
Base-Base interactions energy: -125.673
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.243
local terms energy: -67.764394
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -200.658646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.658646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.658646 (E_RNA)
where:
Base-Base interactions energy: -125.426
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.009
local terms energy: -75.224120
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -170.200893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.200893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.200893 (E_RNA)
where:
Base-Base interactions energy: -100.508
where: short stacking energy: -52.774
Base-Backbone interact. energy: -0.721
local terms energy: -68.971274
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -174.415931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.415931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.415931 (E_RNA)
where:
Base-Base interactions energy: -106.202
where: short stacking energy: -51.745
Base-Backbone interact. energy: 0.194
local terms energy: -68.407842
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -158.042110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.042110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.042110 (E_RNA)
where:
Base-Base interactions energy: -87.098
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.146
local terms energy: -70.798839
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -96.206197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.206197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.206197 (E_RNA)
where:
Base-Base interactions energy: -41.991
where: short stacking energy: -34.416
Base-Backbone interact. energy: 0.212
local terms energy: -54.426690
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -86.364063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.364063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.364063 (E_RNA)
where:
Base-Base interactions energy: -32.127
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.171
local terms energy: -54.066272
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -83.312672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.312672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.312672 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.142
local terms energy: -53.092352
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -241.012245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.012245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.012245 (E_RNA)
where:
Base-Base interactions energy: -167.207
where: short stacking energy: -76.184
Base-Backbone interact. energy: -0.197
local terms energy: -73.607722
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -9.546
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: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -243.133086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.133086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.133086 (E_RNA)
where:
Base-Base interactions energy: -163.124
where: short stacking energy: -76.034
Base-Backbone interact. energy: -0.231
local terms energy: -79.777848
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -197.641715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.641715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.641715 (E_RNA)
where:
Base-Base interactions energy: -126.768
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.189
local terms energy: -70.684598
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -220.026667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.026667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.026667 (E_RNA)
where:
Base-Base interactions energy: -139.998
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.160
local terms energy: -79.868341
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -177.004026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.004026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.004026 (E_RNA)
where:
Base-Base interactions energy: -110.845
where: short stacking energy: -50.316
Base-Backbone interact. energy: -0.164
local terms energy: -65.994672
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -181.959035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.959035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.959035 (E_RNA)
where:
Base-Base interactions energy: -109.327
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.105
local terms energy: -72.526713
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -135.821648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.821648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.821648 (E_RNA)
where:
Base-Base interactions energy: -86.513
where: short stacking energy: -29.592
Base-Backbone interact. energy: 0.618
local terms energy: -49.926799
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -8.965
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: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -89.864181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.864181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.864181 (E_RNA)
where:
Base-Base interactions energy: -38.836
where: short stacking energy: -30.885
Base-Backbone interact. energy: 0.816
local terms energy: -51.843944
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -0.163
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: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -90.951857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951857 (E_RNA)
where:
Base-Base interactions energy: -33.600
where: short stacking energy: -22.228
Base-Backbone interact. energy: -0.834
local terms energy: -56.518245
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -87.920394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.920394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.920394 (E_RNA)
where:
Base-Base interactions energy: -25.966
where: short stacking energy: -25.966
Base-Backbone interact. energy: -0.052
local terms energy: -61.901857
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -245.341964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.341964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.341964 (E_RNA)
where:
Base-Base interactions energy: -168.198
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.072
local terms energy: -77.072598
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -240.032426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.032426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.032426 (E_RNA)
where:
Base-Base interactions energy: -158.939
where: short stacking energy: -63.614
Base-Backbone interact. energy: -0.172
local terms energy: -80.921555
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -16.105
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: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -209.781029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.781029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.781029 (E_RNA)
where:
Base-Base interactions energy: -133.452
where: short stacking energy: -56.727
Base-Backbone interact. energy: -0.604
local terms energy: -75.725263
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -185.812175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.812175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.812175 (E_RNA)
where:
Base-Base interactions energy: -106.403
where: short stacking energy: -45.496
Base-Backbone interact. energy: 0.545
local terms energy: -79.953362
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -11.217
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: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -195.582967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.582967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.582967 (E_RNA)
where:
Base-Base interactions energy: -131.304
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.046
local terms energy: -64.233154
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -184.827370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.827370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.827370 (E_RNA)
where:
Base-Base interactions energy: -119.069
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.141
local terms energy: -65.616726
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -12.838
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: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -152.138949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.138949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.138949 (E_RNA)
where:
Base-Base interactions energy: -89.776
where: short stacking energy: -44.311
Base-Backbone interact. energy: -0.095
local terms energy: -62.267882
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -92.411372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.411372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.411372 (E_RNA)
where:
Base-Base interactions energy: -47.508
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.337
local terms energy: -44.566580
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: 1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -94.160430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.160430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.160430 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.078
local terms energy: -57.974683
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -3.852
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: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -80.202463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.202463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.202463 (E_RNA)
where:
Base-Base interactions energy: -28.751
where: short stacking energy: -28.751
Base-Backbone interact. energy: -0.370
local terms energy: -51.080549
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -245.323254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.323254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.323254 (E_RNA)
where:
Base-Base interactions energy: -162.882
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.960
local terms energy: -81.481365
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -234.738609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.738609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.738609 (E_RNA)
where:
Base-Base interactions energy: -154.284
where: short stacking energy: -61.151
Base-Backbone interact. energy: 0.157
local terms energy: -80.611162
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -204.081985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.081985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.081985 (E_RNA)
where:
Base-Base interactions energy: -128.104
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.110
local terms energy: -75.868305
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.225
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: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -178.977533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.977533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.977533 (E_RNA)
where:
Base-Base interactions energy: -112.260
where: short stacking energy: -58.212
Base-Backbone interact. energy: -0.042
local terms energy: -66.675419
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -199.170912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.170912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.170912 (E_RNA)
where:
Base-Base interactions energy: -131.877
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.009
local terms energy: -67.284759
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.687
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: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -146.758640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.758640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.758640 (E_RNA)
where:
Base-Base interactions energy: -87.141
where: short stacking energy: -39.398
Base-Backbone interact. energy: -0.113
local terms energy: -59.504218
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -169.141517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.141517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.141517 (E_RNA)
where:
Base-Base interactions energy: -101.017
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.540
local terms energy: -67.584619
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -14.382
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: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -97.124379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.124379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.124379 (E_RNA)
where:
Base-Base interactions energy: -43.701
where: short stacking energy: -26.414
Base-Backbone interact. energy: -2.306
local terms energy: -51.117462
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -3.403
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: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -100.160885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.160885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.160885 (E_RNA)
where:
Base-Base interactions energy: -43.082
where: short stacking energy: -43.082
Base-Backbone interact. energy: -0.020
local terms energy: -57.058359
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -6.935
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -81.604847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.604847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.604847 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -24.704
Base-Backbone interact. energy: 0.450
local terms energy: -51.274107
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -11.581
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: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -244.203204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.203204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.203204 (E_RNA)
where:
Base-Base interactions energy: -162.509
where: short stacking energy: -77.672
Base-Backbone interact. energy: 0.696
local terms energy: -82.389641
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.694
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -236.409686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.409686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.409686 (E_RNA)
where:
Base-Base interactions energy: -163.646
where: short stacking energy: -71.326
Base-Backbone interact. energy: -0.109
local terms energy: -72.654236
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -211.252991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.252991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.252991 (E_RNA)
where:
Base-Base interactions energy: -141.657
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.224
local terms energy: -69.371810
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.894
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: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -190.055961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.055961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.055961 (E_RNA)
where:
Base-Base interactions energy: -114.743
where: short stacking energy: -61.501
Base-Backbone interact. energy: -1.405
local terms energy: -73.908554
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -16.612
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: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -197.884292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.884292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.884292 (E_RNA)
where:
Base-Base interactions energy: -125.130
where: short stacking energy: -57.425
Base-Backbone interact. energy: -0.017
local terms energy: -72.737063
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -163.625434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.625434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.625434 (E_RNA)
where:
Base-Base interactions energy: -94.736
where: short stacking energy: -54.155
Base-Backbone interact. energy: 0.735
local terms energy: -69.624647
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -15.440
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -160.487240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.487240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.487240 (E_RNA)
where:
Base-Base interactions energy: -94.203
where: short stacking energy: -47.879
Base-Backbone interact. energy: -0.224
local terms energy: -66.059850
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -95.053222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.053222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.053222 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -33.852
Base-Backbone interact. energy: -0.183
local terms energy: -61.018738
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -96.954391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.954391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.954391 (E_RNA)
where:
Base-Base interactions energy: -38.528
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.680
local terms energy: -57.746598
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -9.215
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: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -76.570737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.570737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.570737 (E_RNA)
where:
Base-Base interactions energy: -28.120
where: short stacking energy: -22.844
Base-Backbone interact. energy: -0.611
local terms energy: -47.839394
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: 4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -249.567152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.567152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.567152 (E_RNA)
where:
Base-Base interactions energy: -164.550
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.092
local terms energy: -84.925102
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -16.628
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: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -235.265313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.265313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.265313 (E_RNA)
where:
Base-Base interactions energy: -154.278
where: short stacking energy: -70.135
Base-Backbone interact. energy: -1.065
local terms energy: -79.922863
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -205.738849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.738849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.738849 (E_RNA)
where:
Base-Base interactions energy: -131.847
where: short stacking energy: -62.490
Base-Backbone interact. energy: -0.219
local terms energy: -73.673100
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.111
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: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -191.852035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.852035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.852035 (E_RNA)
where:
Base-Base interactions energy: -112.668
where: short stacking energy: -62.953
Base-Backbone interact. energy: -0.009
local terms energy: -79.175172
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -186.179736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.179736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.179736 (E_RNA)
where:
Base-Base interactions energy: -119.423
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.073
local terms energy: -66.683676
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -10.016
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: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -157.150745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.150745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.150745 (E_RNA)
where:
Base-Base interactions energy: -87.236
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.048
local terms energy: -69.866327
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -109.759614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.759614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.759614 (E_RNA)
where:
Base-Base interactions energy: -49.993
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.256
local terms energy: -59.510982
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -9.130
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: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -167.063133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.063133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.063133 (E_RNA)
where:
Base-Base interactions energy: -107.386
where: short stacking energy: -46.894
Base-Backbone interact. energy: 0.260
local terms energy: -59.937557
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -82.957371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.957371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.957371 (E_RNA)
where:
Base-Base interactions energy: -28.408
where: short stacking energy: -26.377
Base-Backbone interact. energy: -0.253
local terms energy: -54.296386
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -84.265710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265710 (E_RNA)
where:
Base-Base interactions energy: -38.818
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.054
local terms energy: -45.393124
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -251.977644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.977644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.977644 (E_RNA)
where:
Base-Base interactions energy: -177.372
where: short stacking energy: -69.134
Base-Backbone interact. energy: -0.936
local terms energy: -73.669102
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -212.023571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.023571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.023571 (E_RNA)
where:
Base-Base interactions energy: -136.662
where: short stacking energy: -75.857
Base-Backbone interact. energy: 0.274
local terms energy: -75.636036
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -230.349620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.349620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.349620 (E_RNA)
where:
Base-Base interactions energy: -158.837
where: short stacking energy: -75.346
Base-Backbone interact. energy: 0.084
local terms energy: -71.596447
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.058
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: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -186.024860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.024860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.024860 (E_RNA)
where:
Base-Base interactions energy: -119.341
where: short stacking energy: -43.614
Base-Backbone interact. energy: -0.049
local terms energy: -66.633987
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -10.493
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: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -203.384733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.384733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.384733 (E_RNA)
where:
Base-Base interactions energy: -127.613
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.430
local terms energy: -75.342119
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -7.454
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: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -98.883801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.883801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.883801 (E_RNA)
where:
Base-Base interactions energy: -42.507
where: short stacking energy: -37.866
Base-Backbone interact. energy: -0.072
local terms energy: -56.304287
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -150.627291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.627291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.627291 (E_RNA)
where:
Base-Base interactions energy: -94.294
where: short stacking energy: -46.130
Base-Backbone interact. energy: 0.286
local terms energy: -56.619732
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -112.954836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.954836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.954836 (E_RNA)
where:
Base-Base interactions energy: -49.040
where: short stacking energy: -44.713
Base-Backbone interact. energy: -0.057
local terms energy: -63.858212
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -173.418897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.418897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.418897 (E_RNA)
where:
Base-Base interactions energy: -103.295
where: short stacking energy: -44.895
Base-Backbone interact. energy: -1.480
local terms energy: -68.644344
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -85.750969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.750969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.750969 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -26.461
Base-Backbone interact. energy: -0.596
local terms energy: -48.365374
where:
bonds (distance) C4'-P energy: -8.714
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: 3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -203.873122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.873122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.873122 (E_RNA)
where:
Base-Base interactions energy: -129.881
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.528
local terms energy: -73.463657
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -236.042223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.042223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.042223 (E_RNA)
where:
Base-Base interactions energy: -155.522
where: short stacking energy: -72.623
Base-Backbone interact. energy: -0.335
local terms energy: -80.185604
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -13.664
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: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -237.520158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.520158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.520158 (E_RNA)
where:
Base-Base interactions energy: -157.542
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.282
local terms energy: -79.695971
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -183.645926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.645926 (E_RNA)
where:
Base-Base interactions energy: -109.814
where: short stacking energy: -54.123
Base-Backbone interact. energy: -1.260
local terms energy: -72.571915
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -13.203
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: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -212.550763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.550763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.550763 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.099
local terms energy: -71.148691
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -102.951977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.951977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.951977 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -41.070
Base-Backbone interact. energy: -0.201
local terms energy: -61.681336
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -126.631926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.631926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.631926 (E_RNA)
where:
Base-Base interactions energy: -75.949
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.898
local terms energy: -49.785553
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -0.678
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -93.961576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.961576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.961576 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.067
local terms energy: -54.896238
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -6.357
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: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -150.803083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.803083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.803083 (E_RNA)
where:
Base-Base interactions energy: -102.964
where: short stacking energy: -36.795
Base-Backbone interact. energy: -0.189
local terms energy: -47.650725
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -6.392
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: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -93.066668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.066668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.066668 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -27.061
Base-Backbone interact. energy: -0.179
local terms energy: -61.553910
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -211.181086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.181086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.181086 (E_RNA)
where:
Base-Base interactions energy: -137.399
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.553
local terms energy: -73.229514
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -16.113
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: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -236.717494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.717494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.717494 (E_RNA)
where:
Base-Base interactions energy: -161.623
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.443
local terms energy: -74.651398
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -240.406531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.406531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.406531 (E_RNA)
where:
Base-Base interactions energy: -157.764
where: short stacking energy: -72.747
Base-Backbone interact. energy: -0.127
local terms energy: -82.516316
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -216.807716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.807716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.807716 (E_RNA)
where:
Base-Base interactions energy: -133.388
where: short stacking energy: -61.929
Base-Backbone interact. energy: -0.687
local terms energy: -82.732374
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -193.905531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.905531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.905531 (E_RNA)
where:
Base-Base interactions energy: -116.324
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.001
local terms energy: -77.580453
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -12.025
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: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -107.583488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.583488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.583488 (E_RNA)
where:
Base-Base interactions energy: -48.247
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.099
local terms energy: -59.237492
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -100.884705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.884705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.884705 (E_RNA)
where:
Base-Base interactions energy: -40.137
where: short stacking energy: -34.163
Base-Backbone interact. energy: -0.157
local terms energy: -60.591048
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -144.214178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.214178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.214178 (E_RNA)
where:
Base-Base interactions energy: -85.922
where: short stacking energy: -47.552
Base-Backbone interact. energy: -0.037
local terms energy: -58.255923
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -91.671491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.671491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.671491 (E_RNA)
where:
Base-Base interactions energy: -36.096
where: short stacking energy: -35.662
Base-Backbone interact. energy: 0.017
local terms energy: -55.592253
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -87.509700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.509700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.509700 (E_RNA)
where:
Base-Base interactions energy: -37.722
where: short stacking energy: -32.655
Base-Backbone interact. energy: -1.198
local terms energy: -48.589047
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -233.080232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.080232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.080232 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.575
local terms energy: -81.085973
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -206.905389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.905389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.905389 (E_RNA)
where:
Base-Base interactions energy: -128.027
where: short stacking energy: -64.139
Base-Backbone interact. energy: -0.155
local terms energy: -78.723394
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -235.085801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.085801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.085801 (E_RNA)
where:
Base-Base interactions energy: -171.161
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.781
local terms energy: -63.143645
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -13.088
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: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -238.979724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.979724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.979724 (E_RNA)
where:
Base-Base interactions energy: -159.929
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.823
local terms energy: -78.228355
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -201.087248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.087248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.087248 (E_RNA)
where:
Base-Base interactions energy: -128.601
where: short stacking energy: -60.060
Base-Backbone interact. energy: -0.407
local terms energy: -72.079455
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -111.647561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.647561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.647561 (E_RNA)
where:
Base-Base interactions energy: -48.475
where: short stacking energy: -48.475
Base-Backbone interact. energy: -0.151
local terms energy: -63.021388
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -82.440764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.440764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.440764 (E_RNA)
where:
Base-Base interactions energy: -27.759
where: short stacking energy: -21.413
Base-Backbone interact. energy: 0.215
local terms energy: -54.896881
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -94.407675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.407675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.407675 (E_RNA)
where:
Base-Base interactions energy: -47.909
where: short stacking energy: -28.482
Base-Backbone interact. energy: -0.195
local terms energy: -46.303276
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: 1.480
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -85.846054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.846054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.846054 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.110
local terms energy: -54.588255
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -7.643
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: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -80.172384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.172384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.172384 (E_RNA)
where:
Base-Base interactions energy: -28.354
where: short stacking energy: -28.433
Base-Backbone interact. energy: 1.502
local terms energy: -53.320459
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -242.513608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.513608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.513608 (E_RNA)
where:
Base-Base interactions energy: -161.693
where: short stacking energy: -74.188
Base-Backbone interact. energy: -0.622
local terms energy: -80.198912
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -10.067
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: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -240.128977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.128977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.128977 (E_RNA)
where:
Base-Base interactions energy: -163.233
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.560
local terms energy: -76.336398
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -206.031117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.031117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.031117 (E_RNA)
where:
Base-Base interactions energy: -124.928
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.189
local terms energy: -80.913634
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -208.646816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.646816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.646816 (E_RNA)
where:
Base-Base interactions energy: -136.806
where: short stacking energy: -52.643
Base-Backbone interact. energy: -0.361
local terms energy: -71.479691
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -9.045
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: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -172.794504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.794504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.794504 (E_RNA)
where:
Base-Base interactions energy: -110.371
where: short stacking energy: -40.892
Base-Backbone interact. energy: -0.601
local terms energy: -61.822930
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -108.030185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.030185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.030185 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.085
local terms energy: -65.166126
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -99.730887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.730887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.730887 (E_RNA)
where:
Base-Base interactions energy: -44.964
where: short stacking energy: -39.085
Base-Backbone interact. energy: -0.677
local terms energy: -54.090008
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -4.771
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: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -92.498107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.498107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.498107 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.094
local terms energy: -58.964080
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -11.368
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: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -100.920535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.920535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.920535 (E_RNA)
where:
Base-Base interactions energy: -38.200
where: short stacking energy: -23.505
Base-Backbone interact. energy: -0.279
local terms energy: -62.441509
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -84.639364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.639364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.639364 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -32.130
Base-Backbone interact. energy: 0.446
local terms energy: -52.102682
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -1.433
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: 312
Temperature: 0.900000
Total energy: -236.792152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.792152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.792152 (E_RNA)
where:
Base-Base interactions energy: -155.516
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.411
local terms energy: -80.865143
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -243.267161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.267161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.267161 (E_RNA)
where:
Base-Base interactions energy: -157.410
where: short stacking energy: -74.426
Base-Backbone interact. energy: -0.391
local terms energy: -85.466056
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -232.817515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.817515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.817515 (E_RNA)
where:
Base-Base interactions energy: -162.503
where: short stacking energy: -67.130
Base-Backbone interact. energy: -0.393
local terms energy: -69.921719
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -202.230173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.230173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.230173 (E_RNA)
where:
Base-Base interactions energy: -123.231
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.007
local terms energy: -78.992805
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -191.346335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.346335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.346335 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -65.052
Base-Backbone interact. energy: 0.036
local terms energy: -67.952880
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -98.461637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.461637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.461637 (E_RNA)
where:
Base-Base interactions energy: -40.468
where: short stacking energy: -30.763
Base-Backbone interact. energy: -0.035
local terms energy: -57.958784
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -13.337
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: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -98.148521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.148521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.148521 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -35.474
Base-Backbone interact. energy: -0.105
local terms energy: -62.570224
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -88.151257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151257 (E_RNA)
where:
Base-Base interactions energy: -37.247
where: short stacking energy: -29.833
Base-Backbone interact. energy: 0.356
local terms energy: -51.260287
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -106.048939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.048939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.048939 (E_RNA)
where:
Base-Base interactions energy: -55.057
where: short stacking energy: -34.885
Base-Backbone interact. energy: -0.397
local terms energy: -50.595185
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -2.228
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: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -87.409513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409513 (E_RNA)
where:
Base-Base interactions energy: -30.170
where: short stacking energy: -26.979
Base-Backbone interact. energy: -1.488
local terms energy: -55.751804
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -239.585711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.585711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.585711 (E_RNA)
where:
Base-Base interactions energy: -167.586
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.805
local terms energy: -71.195375
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -10.536
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -247.102107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.102107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.102107 (E_RNA)
where:
Base-Base interactions energy: -161.109
where: short stacking energy: -73.954
Base-Backbone interact. energy: -0.915
local terms energy: -85.078003
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -23.524
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: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -231.592832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.592832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.592832 (E_RNA)
where:
Base-Base interactions energy: -155.582
where: short stacking energy: -72.537
Base-Backbone interact. energy: -0.059
local terms energy: -75.952383
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -208.512417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.512417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.512417 (E_RNA)
where:
Base-Base interactions energy: -135.940
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.003
local terms energy: -72.569445
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -17.664
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: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -203.087143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.087143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.087143 (E_RNA)
where:
Base-Base interactions energy: -131.762
where: short stacking energy: -65.300
Base-Backbone interact. energy: -0.005
local terms energy: -71.320399
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -114.799182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.799182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.799182 (E_RNA)
where:
Base-Base interactions energy: -60.096
where: short stacking energy: -41.765
Base-Backbone interact. energy: -0.283
local terms energy: -54.420067
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -7.430
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -102.587240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.587240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.587240 (E_RNA)
where:
Base-Base interactions energy: -48.673
where: short stacking energy: -41.789
Base-Backbone interact. energy: -0.162
local terms energy: -53.752223
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -103.322572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322572 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -33.753
Base-Backbone interact. energy: -0.354
local terms energy: -67.263052
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -103.630687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.630687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.630687 (E_RNA)
where:
Base-Base interactions energy: -39.404
where: short stacking energy: -35.629
Base-Backbone interact. energy: -0.017
local terms energy: -64.209806
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -90.321956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.321956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.321956 (E_RNA)
where:
Base-Base interactions energy: -37.175
where: short stacking energy: -25.684
Base-Backbone interact. energy: -0.090
local terms energy: -53.056739
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -1.270
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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -241.508220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.508220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.508220 (E_RNA)
where:
Base-Base interactions energy: -161.667
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.200
local terms energy: -79.641267
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -13.769
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: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -229.795374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.795374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.795374 (E_RNA)
where:
Base-Base interactions energy: -161.080
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.098
local terms energy: -68.616896
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -14.015
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: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -236.852293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.852293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.852293 (E_RNA)
where:
Base-Base interactions energy: -162.068
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.178
local terms energy: -74.606245
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -15.392
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: 314
Temperature: 1.050000
Total energy: -209.138373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.138373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.138373 (E_RNA)
where:
Base-Base interactions energy: -141.254
where: short stacking energy: -68.939
Base-Backbone interact. energy: -1.150
local terms energy: -66.735156
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -197.116477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.116477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.116477 (E_RNA)
where:
Base-Base interactions energy: -132.266
where: short stacking energy: -60.872
Base-Backbone interact. energy: 0.932
local terms energy: -65.782264
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -6.427
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: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -121.505777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.505777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.505777 (E_RNA)
where:
Base-Base interactions energy: -56.606
where: short stacking energy: -46.360
Base-Backbone interact. energy: 1.413
local terms energy: -66.312736
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -105.588367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.588367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.588367 (E_RNA)
where:
Base-Base interactions energy: -50.899
where: short stacking energy: -49.022
Base-Backbone interact. energy: -0.200
local terms energy: -54.490220
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -89.762895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.762895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.762895 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -32.483
Base-Backbone interact. energy: -0.054
local terms energy: -57.226478
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -93.473971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.473971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.473971 (E_RNA)
where:
Base-Base interactions energy: -36.292
where: short stacking energy: -32.075
Base-Backbone interact. energy: -0.140
local terms energy: -57.041463
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -90.266512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.266512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.266512 (E_RNA)
where:
Base-Base interactions energy: -27.903
where: short stacking energy: -27.903
Base-Backbone interact. energy: -0.119
local terms energy: -62.244525
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -233.285427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.285427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.285427 (E_RNA)
where:
Base-Base interactions energy: -161.658
where: short stacking energy: -65.935
Base-Backbone interact. energy: -0.287
local terms energy: -71.340098
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -15.378
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: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -240.359111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.359111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.359111 (E_RNA)
where:
Base-Base interactions energy: -153.587
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.050
local terms energy: -86.721501
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -238.666569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.666569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.666569 (E_RNA)
where:
Base-Base interactions energy: -170.575
where: short stacking energy: -51.473
Base-Backbone interact. energy: -0.274
local terms energy: -67.817579
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -204.172569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.172569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.172569 (E_RNA)
where:
Base-Base interactions energy: -126.864
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.021
local terms energy: -77.287076
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -13.216
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: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -202.975649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.975649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.975649 (E_RNA)
where:
Base-Base interactions energy: -127.644
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.644
local terms energy: -74.687158
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -116.528000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.528000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.528000 (E_RNA)
where:
Base-Base interactions energy: -49.169
where: short stacking energy: -49.169
Base-Backbone interact. energy: -0.065
local terms energy: -67.293864
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -105.463174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.463174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.463174 (E_RNA)
where:
Base-Base interactions energy: -52.968
where: short stacking energy: -42.736
Base-Backbone interact. energy: -0.388
local terms energy: -52.106845
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -4.369
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: 315
Temperature: 1.250000
Total energy: -93.221688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.221688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.221688 (E_RNA)
where:
Base-Base interactions energy: -34.407
where: short stacking energy: -28.020
Base-Backbone interact. energy: -0.189
local terms energy: -58.625897
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -87.814288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.814288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.814288 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -28.301
Base-Backbone interact. energy: 0.579
local terms energy: -55.909337
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -86.930585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.930585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.930585 (E_RNA)
where:
Base-Base interactions energy: -35.005
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.062
local terms energy: -51.863135
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -237.607794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.607794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.607794 (E_RNA)
where:
Base-Base interactions energy: -158.224
where: short stacking energy: -69.878
Base-Backbone interact. energy: -1.760
local terms energy: -77.623061
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -14.190
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -241.606316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.606316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.606316 (E_RNA)
where:
Base-Base interactions energy: -157.615
where: short stacking energy: -74.849
Base-Backbone interact. energy: -0.101
local terms energy: -83.890710
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -23.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -233.709691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.709691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.709691 (E_RNA)
where:
Base-Base interactions energy: -162.472
where: short stacking energy: -64.732
Base-Backbone interact. energy: -1.813
local terms energy: -69.424480
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -213.799557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.799557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.799557 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -65.862
Base-Backbone interact. energy: -0.250
local terms energy: -74.083908
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -205.916356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.916356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.916356 (E_RNA)
where:
Base-Base interactions energy: -130.167
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.034
local terms energy: -75.715024
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -11.757
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: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -114.900239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.900239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.900239 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -43.698
Base-Backbone interact. energy: -0.009
local terms energy: -71.192932
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -96.598257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.598257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.598257 (E_RNA)
where:
Base-Base interactions energy: -46.559
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.368
local terms energy: -49.670740
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -4.952
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: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -101.432837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.432837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.432837 (E_RNA)
where:
Base-Base interactions energy: -49.979
where: short stacking energy: -25.152
Base-Backbone interact. energy: 0.788
local terms energy: -52.241481
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -94.203815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.203815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.203815 (E_RNA)
where:
Base-Base interactions energy: -31.371
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.108
local terms energy: -62.725111
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -79.369324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.369324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.369324 (E_RNA)
where:
Base-Base interactions energy: -35.906
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.145
local terms energy: -43.318374
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -7.452
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -243.825419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.825419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.825419 (E_RNA)
where:
Base-Base interactions energy: -165.307
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.349
local terms energy: -78.170363
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -9.795
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: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -244.132232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.132232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.132232 (E_RNA)
where:
Base-Base interactions energy: -173.894
where: short stacking energy: -72.683
Base-Backbone interact. energy: -0.364
local terms energy: -69.874810
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -241.452924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.452924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.452924 (E_RNA)
where:
Base-Base interactions energy: -163.417
where: short stacking energy: -80.710
Base-Backbone interact. energy: -0.405
local terms energy: -77.630378
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -9.499
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: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -195.652224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.652224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.652224 (E_RNA)
where:
Base-Base interactions energy: -123.612
where: short stacking energy: -57.994
Base-Backbone interact. energy: 0.028
local terms energy: -72.068401
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -189.744866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.744866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.744866 (E_RNA)
where:
Base-Base interactions energy: -126.193
where: short stacking energy: -63.878
Base-Backbone interact. energy: 0.142
local terms energy: -63.694277
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.915
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: 317
Temperature: 1.150000
Total energy: -104.495184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.495184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.495184 (E_RNA)
where:
Base-Base interactions energy: -42.354
where: short stacking energy: -35.240
Base-Backbone interact. energy: -0.012
local terms energy: -62.129530
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -102.058564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.058564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.058564 (E_RNA)
where:
Base-Base interactions energy: -46.399
where: short stacking energy: -38.876
Base-Backbone interact. energy: 0.896
local terms energy: -56.555964
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -102.683831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.683831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.683831 (E_RNA)
where:
Base-Base interactions energy: -44.825
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.448
local terms energy: -57.410985
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -11.315
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: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -86.722524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.722524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.722524 (E_RNA)
where:
Base-Base interactions energy: -39.057
where: short stacking energy: -24.591
Base-Backbone interact. energy: -0.505
local terms energy: -47.161182
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -1.530
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -77.494627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.494627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.494627 (E_RNA)
where:
Base-Base interactions energy: -23.728
where: short stacking energy: -22.698
Base-Backbone interact. energy: -0.168
local terms energy: -53.597966
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -252.993431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.993431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.993431 (E_RNA)
where:
Base-Base interactions energy: -177.082
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.593
local terms energy: -75.318130
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -13.314
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: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -236.836925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.836925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.836925 (E_RNA)
where:
Base-Base interactions energy: -154.951
where: short stacking energy: -66.948
Base-Backbone interact. energy: -0.309
local terms energy: -81.577491
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -225.346076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.346076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.346076 (E_RNA)
where:
Base-Base interactions energy: -146.688
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.401
local terms energy: -78.256778
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.452
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: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -192.580611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.580611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.580611 (E_RNA)
where:
Base-Base interactions energy: -117.933
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.104
local terms energy: -74.543720
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.840
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: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -211.631512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.631512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.631512 (E_RNA)
where:
Base-Base interactions energy: -131.322
where: short stacking energy: -65.983
Base-Backbone interact. energy: -0.050
local terms energy: -80.258723
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -102.275272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.275272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.275272 (E_RNA)
where:
Base-Base interactions energy: -47.536
where: short stacking energy: -35.301
Base-Backbone interact. energy: 1.215
local terms energy: -55.953749
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -105.645802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.645802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.645802 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -39.598
Base-Backbone interact. energy: -0.184
local terms energy: -64.030523
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -86.002084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002084 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -28.245
Base-Backbone interact. energy: -0.156
local terms energy: -53.964841
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -88.480483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.480483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.480483 (E_RNA)
where:
Base-Base interactions energy: -37.736
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.158
local terms energy: -50.586600
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -2.484
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: 318
Temperature: 1.350000
Total energy: -85.935986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.935986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.935986 (E_RNA)
where:
Base-Base interactions energy: -41.949
where: short stacking energy: -23.517
Base-Backbone interact. energy: -0.402
local terms energy: -43.585135
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -1.064
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: 319
Temperature: 0.900000
Total energy: -244.492065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.492065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.492065 (E_RNA)
where:
Base-Base interactions energy: -165.000
where: short stacking energy: -61.327
Base-Backbone interact. energy: -1.004
local terms energy: -78.488154
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -9.029
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: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -229.716901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.716901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.716901 (E_RNA)
where:
Base-Base interactions energy: -157.128
where: short stacking energy: -68.144
Base-Backbone interact. energy: -0.216
local terms energy: -72.373404
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -237.712523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.712523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.712523 (E_RNA)
where:
Base-Base interactions energy: -158.494
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.477
local terms energy: -78.741450
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -8.979
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: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -201.063862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.063862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.063862 (E_RNA)
where:
Base-Base interactions energy: -126.114
where: short stacking energy: -54.512
Base-Backbone interact. energy: -0.120
local terms energy: -74.829954
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -186.192776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.192776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.192776 (E_RNA)
where:
Base-Base interactions energy: -118.962
where: short stacking energy: -50.765
Base-Backbone interact. energy: -0.106
local terms energy: -67.125206
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -106.084075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.084075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.084075 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -37.937
Base-Backbone interact. energy: -1.183
local terms energy: -61.515195
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -96.501578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.501578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.501578 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -39.755
Base-Backbone interact. energy: -0.161
local terms energy: -56.585354
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.056
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: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -95.570489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.570489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.570489 (E_RNA)
where:
Base-Base interactions energy: -40.562
where: short stacking energy: -39.632
Base-Backbone interact. energy: -1.047
local terms energy: -53.961626
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -7.845
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: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -88.568550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.568550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.568550 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -30.550
Base-Backbone interact. energy: 0.575
local terms energy: -58.023080
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -81.481389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481389 (E_RNA)
where:
Base-Base interactions energy: -35.240
where: short stacking energy: -31.128
Base-Backbone interact. energy: -0.218
local terms energy: -46.023890
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -9.133
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: 320
Temperature: 0.900000
Total energy: -249.632751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.632751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.632751 (E_RNA)
where:
Base-Base interactions energy: -176.654
where: short stacking energy: -69.767
Base-Backbone interact. energy: -0.507
local terms energy: -72.471845
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -234.866339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.866339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.866339 (E_RNA)
where:
Base-Base interactions energy: -161.242
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.083
local terms energy: -73.540907
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -17.439
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: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -238.608479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.608479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.608479 (E_RNA)
where:
Base-Base interactions energy: -158.233
where: short stacking energy: -67.086
Base-Backbone interact. energy: -2.086
local terms energy: -78.288754
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -203.958567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.958567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.958567 (E_RNA)
where:
Base-Base interactions energy: -140.935
where: short stacking energy: -63.175
Base-Backbone interact. energy: -0.018
local terms energy: -63.005652
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -182.957293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.957293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.957293 (E_RNA)
where:
Base-Base interactions energy: -112.520
where: short stacking energy: -49.501
Base-Backbone interact. energy: -0.515
local terms energy: -69.922285
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -12.408
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: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -103.649523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.649523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.649523 (E_RNA)
where:
Base-Base interactions energy: -50.613
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.257
local terms energy: -52.779851
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -8.285
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: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -97.475474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.475474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.475474 (E_RNA)
where:
Base-Base interactions energy: -37.836
where: short stacking energy: -33.323
Base-Backbone interact. energy: -0.003
local terms energy: -59.636690
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.033
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: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -89.637627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.637627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.637627 (E_RNA)
where:
Base-Base interactions energy: -31.084
where: short stacking energy: -26.199
Base-Backbone interact. energy: -0.072
local terms energy: -58.481494
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -0.953
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: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -92.344879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.344879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.344879 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -20.773
Base-Backbone interact. energy: -0.213
local terms energy: -57.052388
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -85.885623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.885623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.885623 (E_RNA)
where:
Base-Base interactions energy: -34.014
where: short stacking energy: -25.868
Base-Backbone interact. energy: -1.368
local terms energy: -50.503953
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -250.180439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.180439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.180439 (E_RNA)
where:
Base-Base interactions energy: -171.362
where: short stacking energy: -70.230
Base-Backbone interact. energy: 0.874
local terms energy: -79.692662
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -239.594739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.594739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.594739 (E_RNA)
where:
Base-Base interactions energy: -164.139
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.159
local terms energy: -75.297170
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.778
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: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -257.027371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.027371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.027371 (E_RNA)
where:
Base-Base interactions energy: -183.882
where: short stacking energy: -67.237
Base-Backbone interact. energy: -0.847
local terms energy: -72.298359
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -194.160538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.160538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.160538 (E_RNA)
where:
Base-Base interactions energy: -119.330
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.000
local terms energy: -74.830477
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -214.624101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.624101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.624101 (E_RNA)
where:
Base-Base interactions energy: -138.586
where: short stacking energy: -69.538
Base-Backbone interact. energy: -0.037
local terms energy: -76.001622
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -97.072454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072454 (E_RNA)
where:
Base-Base interactions energy: -40.963
where: short stacking energy: -35.770
Base-Backbone interact. energy: -0.095
local terms energy: -56.014411
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -102.893375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.893375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.893375 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -37.960
Base-Backbone interact. energy: -0.266
local terms energy: -62.872438
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -9.877
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: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -101.145857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.145857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.145857 (E_RNA)
where:
Base-Base interactions energy: -51.476
where: short stacking energy: -45.006
Base-Backbone interact. energy: -0.046
local terms energy: -49.624204
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -94.544115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.544115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.544115 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -33.398
Base-Backbone interact. energy: -0.149
local terms energy: -60.543974
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -85.750378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.750378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.750378 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.189
local terms energy: -49.225823
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -250.821249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.821249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.821249 (E_RNA)
where:
Base-Base interactions energy: -171.297
where: short stacking energy: -74.621
Base-Backbone interact. energy: -0.406
local terms energy: -79.118361
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -244.510083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.510083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.510083 (E_RNA)
where:
Base-Base interactions energy: -159.388
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.181
local terms energy: -84.940936
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -244.617102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.617102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.617102 (E_RNA)
where:
Base-Base interactions energy: -176.809
where: short stacking energy: -63.365
Base-Backbone interact. energy: -0.684
local terms energy: -67.124097
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -205.190464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.190464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.190464 (E_RNA)
where:
Base-Base interactions energy: -136.743
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.005
local terms energy: -68.442097
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -191.490312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.490312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.490312 (E_RNA)
where:
Base-Base interactions energy: -125.492
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.391
local terms energy: -65.607391
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -7.753
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -95.760970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.760970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.760970 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -33.147
Base-Backbone interact. energy: -0.082
local terms energy: -61.136544
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -8.242
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: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -112.097766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.097766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.097766 (E_RNA)
where:
Base-Base interactions energy: -52.858
where: short stacking energy: -51.361
Base-Backbone interact. energy: 0.469
local terms energy: -59.708958
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -90.526064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.526064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.526064 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -23.095
Base-Backbone interact. energy: -0.021
local terms energy: -58.463305
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -7.468
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: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -91.136460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.136460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.136460 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -27.541
Base-Backbone interact. energy: -0.281
local terms energy: -55.302745
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -82.580239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.580239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.580239 (E_RNA)
where:
Base-Base interactions energy: -30.184
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.103
local terms energy: -52.293029
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -258.391130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.391130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.391130 (E_RNA)
where:
Base-Base interactions energy: -176.956
where: short stacking energy: -74.667
Base-Backbone interact. energy: -0.373
local terms energy: -81.061694
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -20.434
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: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -241.733856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.733856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.733856 (E_RNA)
where:
Base-Base interactions energy: -163.870
where: short stacking energy: -65.513
Base-Backbone interact. energy: 1.338
local terms energy: -79.201679
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.472
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: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -238.384043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.384043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.384043 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.149
local terms energy: -79.571138
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -14.452
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: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -182.525217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.525217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.525217 (E_RNA)
where:
Base-Base interactions energy: -118.596
where: short stacking energy: -61.514
Base-Backbone interact. energy: 0.298
local terms energy: -64.228177
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -12.080
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: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -174.668353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.668353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.668353 (E_RNA)
where:
Base-Base interactions energy: -106.681
where: short stacking energy: -53.182
Base-Backbone interact. energy: -0.007
local terms energy: -67.980118
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -105.798169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.798169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.798169 (E_RNA)
where:
Base-Base interactions energy: -46.428
where: short stacking energy: -45.406
Base-Backbone interact. energy: 0.426
local terms energy: -59.796445
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -11.484
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: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -98.494994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.494994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.494994 (E_RNA)
where:
Base-Base interactions energy: -35.459
where: short stacking energy: -31.511
Base-Backbone interact. energy: -0.253
local terms energy: -62.782891
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -86.120759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.120759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.120759 (E_RNA)
where:
Base-Base interactions energy: -29.855
where: short stacking energy: -28.371
Base-Backbone interact. energy: -0.836
local terms energy: -55.429358
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -79.474432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.474432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.474432 (E_RNA)
where:
Base-Base interactions energy: -27.746
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.051
local terms energy: -51.677912
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -90.394413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394413 (E_RNA)
where:
Base-Base interactions energy: -41.648
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.098
local terms energy: -48.649031
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -3.456
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: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -252.246256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.246256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.246256 (E_RNA)
where:
Base-Base interactions energy: -176.772
where: short stacking energy: -70.534
Base-Backbone interact. energy: -1.093
local terms energy: -74.381865
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -250.186525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.186525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.186525 (E_RNA)
where:
Base-Base interactions energy: -167.613
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.146
local terms energy: -82.426795
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -245.555277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.555277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.555277 (E_RNA)
where:
Base-Base interactions energy: -165.882
where: short stacking energy: -65.759
Base-Backbone interact. energy: -0.347
local terms energy: -79.326884
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -17.959
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: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -199.937985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.937985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.937985 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -61.306
Base-Backbone interact. energy: -0.006
local terms energy: -74.863273
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -173.666347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.666347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.666347 (E_RNA)
where:
Base-Base interactions energy: -110.035
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.042
local terms energy: -63.589532
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -116.603028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.603028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.603028 (E_RNA)
where:
Base-Base interactions energy: -59.039
where: short stacking energy: -39.108
Base-Backbone interact. energy: -0.067
local terms energy: -57.496886
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -104.136622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.136622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.136622 (E_RNA)
where:
Base-Base interactions energy: -40.883
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.244
local terms energy: -63.008991
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -10.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -97.779309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.779309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.779309 (E_RNA)
where:
Base-Base interactions energy: -43.737
where: short stacking energy: -41.025
Base-Backbone interact. energy: -0.571
local terms energy: -53.470600
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -8.893
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: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -84.792120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.792120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.792120 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -30.096
Base-Backbone interact. energy: -0.305
local terms energy: -50.981709
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -6.683
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: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -94.168970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.168970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.168970 (E_RNA)
where:
Base-Base interactions energy: -38.563
where: short stacking energy: -38.563
Base-Backbone interact. energy: -0.235
local terms energy: -55.370782
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -9.015
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -7.814
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: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -247.813024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.813024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.813024 (E_RNA)
where:
Base-Base interactions energy: -169.441
where: short stacking energy: -65.589
Base-Backbone interact. energy: -1.276
local terms energy: -77.096158
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -242.441159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.441159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.441159 (E_RNA)
where:
Base-Base interactions energy: -171.270
where: short stacking energy: -73.119
Base-Backbone interact. energy: 0.476
local terms energy: -71.647439
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -10.018
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: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -238.276176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.276176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.276176 (E_RNA)
where:
Base-Base interactions energy: -162.686
where: short stacking energy: -65.686
Base-Backbone interact. energy: 1.058
local terms energy: -76.648299
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -196.662969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.662969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.662969 (E_RNA)
where:
Base-Base interactions energy: -121.003
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.814
local terms energy: -74.846630
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.012
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: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -198.029240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.029240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.029240 (E_RNA)
where:
Base-Base interactions energy: -133.114
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.030
local terms energy: -64.885251
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -11.270
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: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -99.497186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.497186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.497186 (E_RNA)
where:
Base-Base interactions energy: -47.919
where: short stacking energy: -40.461
Base-Backbone interact. energy: -0.384
local terms energy: -51.194715
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -93.792379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.792379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.792379 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -38.048
Base-Backbone interact. energy: -0.088
local terms energy: -55.656742
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -89.037972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.037972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.037972 (E_RNA)
where:
Base-Base interactions energy: -32.319
where: short stacking energy: -31.374
Base-Backbone interact. energy: -1.027
local terms energy: -55.691520
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -6.521
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: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -82.694169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.694169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.694169 (E_RNA)
where:
Base-Base interactions energy: -34.200
where: short stacking energy: -29.773
Base-Backbone interact. energy: -1.159
local terms energy: -47.335376
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -86.934559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.934559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.934559 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -35.755
Base-Backbone interact. energy: -0.121
local terms energy: -51.158015
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -243.841303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.841303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.841303 (E_RNA)
where:
Base-Base interactions energy: -165.966
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.289
local terms energy: -77.586518
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -238.802319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.802319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.802319 (E_RNA)
where:
Base-Base interactions energy: -165.122
where: short stacking energy: -68.978
Base-Backbone interact. energy: -1.891
local terms energy: -71.788673
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -18.829
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: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -227.767311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.767311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.767311 (E_RNA)
where:
Base-Base interactions energy: -152.023
where: short stacking energy: -65.575
Base-Backbone interact. energy: -0.251
local terms energy: -75.493193
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -205.063273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.063273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.063273 (E_RNA)
where:
Base-Base interactions energy: -130.502
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.001
local terms energy: -74.560990
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -170.525533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.525533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.525533 (E_RNA)
where:
Base-Base interactions energy: -95.634
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.148
local terms energy: -74.743008
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -101.827629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.827629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.827629 (E_RNA)
where:
Base-Base interactions energy: -41.376
where: short stacking energy: -40.165
Base-Backbone interact. energy: -0.153
local terms energy: -60.299156
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.301
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: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -99.459998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.459998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.459998 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -24.837
Base-Backbone interact. energy: -0.193
local terms energy: -57.628143
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.511
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: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -93.835984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.835984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.835984 (E_RNA)
where:
Base-Base interactions energy: -39.821
where: short stacking energy: -39.141
Base-Backbone interact. energy: -0.187
local terms energy: -53.828235
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -89.257641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.257641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.257641 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -34.217
Base-Backbone interact. energy: -0.033
local terms energy: -51.898426
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -79.416373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416373 (E_RNA)
where:
Base-Base interactions energy: -25.503
where: short stacking energy: -22.713
Base-Backbone interact. energy: -0.023
local terms energy: -53.890379
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.272
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: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -251.235926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.235926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.235926 (E_RNA)
where:
Base-Base interactions energy: -180.493
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.310
local terms energy: -70.433600
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -13.583
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: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -229.343087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.343087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.343087 (E_RNA)
where:
Base-Base interactions energy: -150.958
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.117
local terms energy: -78.267437
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -237.410120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.410120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.410120 (E_RNA)
where:
Base-Base interactions energy: -160.618
where: short stacking energy: -66.990
Base-Backbone interact. energy: -1.148
local terms energy: -75.643964
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.401
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: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -191.201713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.201713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.201713 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.085
local terms energy: -71.443129
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -189.291433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.291433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.291433 (E_RNA)
where:
Base-Base interactions energy: -122.082
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.030
local terms energy: -67.179014
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -105.286080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.286080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.286080 (E_RNA)
where:
Base-Base interactions energy: -50.199
where: short stacking energy: -48.842
Base-Backbone interact. energy: -0.074
local terms energy: -55.012897
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -7.809
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -117.028907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.028907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.028907 (E_RNA)
where:
Base-Base interactions energy: -55.405
where: short stacking energy: -39.050
Base-Backbone interact. energy: -0.488
local terms energy: -61.135246
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -101.295382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.295382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.295382 (E_RNA)
where:
Base-Base interactions energy: -54.906
where: short stacking energy: -54.876
Base-Backbone interact. energy: -0.346
local terms energy: -46.042789
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -81.696267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.696267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.696267 (E_RNA)
where:
Base-Base interactions energy: -24.789
where: short stacking energy: -16.077
Base-Backbone interact. energy: -0.042
local terms energy: -56.864559
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -79.990446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.990446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.990446 (E_RNA)
where:
Base-Base interactions energy: -20.062
where: short stacking energy: -16.213
Base-Backbone interact. energy: -0.334
local terms energy: -59.593819
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -255.740555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.740555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.740555 (E_RNA)
where:
Base-Base interactions energy: -185.289
where: short stacking energy: -69.236
Base-Backbone interact. energy: -0.282
local terms energy: -70.169030
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -237.232235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.232235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.232235 (E_RNA)
where:
Base-Base interactions energy: -158.814
where: short stacking energy: -73.332
Base-Backbone interact. energy: -0.137
local terms energy: -78.281151
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -11.786
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: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -243.949444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.949444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.949444 (E_RNA)
where:
Base-Base interactions energy: -168.231
where: short stacking energy: -67.262
Base-Backbone interact. energy: -1.216
local terms energy: -74.502521
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -186.978314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.978314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.978314 (E_RNA)
where:
Base-Base interactions energy: -118.909
where: short stacking energy: -65.495
Base-Backbone interact. energy: 0.181
local terms energy: -68.249776
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -180.236753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.236753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.236753 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.056
local terms energy: -61.582809
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -11.018
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: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -109.668742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.668742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.668742 (E_RNA)
where:
Base-Base interactions energy: -41.837
where: short stacking energy: -40.424
Base-Backbone interact. energy: -0.188
local terms energy: -67.644287
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -101.201081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.201081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.201081 (E_RNA)
where:
Base-Base interactions energy: -47.180
where: short stacking energy: -37.626
Base-Backbone interact. energy: -0.313
local terms energy: -53.707894
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -4.600
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: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -105.335186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.335186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.335186 (E_RNA)
where:
Base-Base interactions energy: -46.066
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.912
local terms energy: -58.357112
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -13.427
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: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -98.678869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.678869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.678869 (E_RNA)
where:
Base-Base interactions energy: -46.037
where: short stacking energy: -40.949
Base-Backbone interact. energy: -0.625
local terms energy: -52.017322
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -83.119108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.119108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.119108 (E_RNA)
where:
Base-Base interactions energy: -30.525
where: short stacking energy: -19.543
Base-Backbone interact. energy: 0.198
local terms energy: -52.791325
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -258.810021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.810021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.810021 (E_RNA)
where:
Base-Base interactions energy: -178.181
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.908
local terms energy: -79.721414
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -243.335485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.335485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.335485 (E_RNA)
where:
Base-Base interactions energy: -169.105
where: short stacking energy: -71.130
Base-Backbone interact. energy: 0.500
local terms energy: -74.730100
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -230.377761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.377761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.377761 (E_RNA)
where:
Base-Base interactions energy: -152.689
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.507
local terms energy: -77.181741
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -11.075
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: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -201.978966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.978966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.978966 (E_RNA)
where:
Base-Base interactions energy: -124.124
where: short stacking energy: -60.398
Base-Backbone interact. energy: -0.001
local terms energy: -77.854449
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -189.791517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.791517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.791517 (E_RNA)
where:
Base-Base interactions energy: -111.385
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.170
local terms energy: -78.236120
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -104.729448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.729448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.729448 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -38.660
Base-Backbone interact. energy: -0.099
local terms energy: -64.787974
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -8.346
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: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -99.297926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.297926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.297926 (E_RNA)
where:
Base-Base interactions energy: -46.401
where: short stacking energy: -32.633
Base-Backbone interact. energy: 0.126
local terms energy: -53.022827
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -9.473
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: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -93.456262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.456262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.456262 (E_RNA)
where:
Base-Base interactions energy: -39.082
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.040
local terms energy: -54.333695
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -89.607487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.607487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.607487 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.815
local terms energy: -50.228978
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -79.446565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.446565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.446565 (E_RNA)
where:
Base-Base interactions energy: -30.913
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.190
local terms energy: -48.343306
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -250.112648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.112648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.112648 (E_RNA)
where:
Base-Base interactions energy: -172.164
where: short stacking energy: -69.652
Base-Backbone interact. energy: -0.430
local terms energy: -77.518983
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -242.216111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.216111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.216111 (E_RNA)
where:
Base-Base interactions energy: -164.140
where: short stacking energy: -62.777
Base-Backbone interact. energy: 0.748
local terms energy: -78.824365
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -14.033
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: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -236.269197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.269197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.269197 (E_RNA)
where:
Base-Base interactions energy: -163.127
where: short stacking energy: -78.205
Base-Backbone interact. energy: -1.281
local terms energy: -71.861523
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -195.550300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.550300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.550300 (E_RNA)
where:
Base-Base interactions energy: -126.336
where: short stacking energy: -67.761
Base-Backbone interact. energy: 0.626
local terms energy: -69.840617
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -9.829
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: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -169.865194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.865194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.865194 (E_RNA)
where:
Base-Base interactions energy: -104.446
where: short stacking energy: -61.234
Base-Backbone interact. energy: 0.319
local terms energy: -65.738585
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -11.587
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: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -116.262136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.262136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.262136 (E_RNA)
where:
Base-Base interactions energy: -54.263
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.007
local terms energy: -61.992219
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -10.180
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: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -115.459947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.459947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.459947 (E_RNA)
where:
Base-Base interactions energy: -60.176
where: short stacking energy: -34.025
Base-Backbone interact. energy: -0.329
local terms energy: -54.955378
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -98.995463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.995463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.995463 (E_RNA)
where:
Base-Base interactions energy: -40.391
where: short stacking energy: -29.987
Base-Backbone interact. energy: 0.126
local terms energy: -58.730404
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -98.522568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.522568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.522568 (E_RNA)
where:
Base-Base interactions energy: -46.357
where: short stacking energy: -26.523
Base-Backbone interact. energy: 0.854
local terms energy: -53.020274
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -89.138165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.138165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.138165 (E_RNA)
where:
Base-Base interactions energy: -46.090
where: short stacking energy: -24.093
Base-Backbone interact. energy: 0.350
local terms energy: -43.398266
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: 3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -250.238018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.238018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.238018 (E_RNA)
where:
Base-Base interactions energy: -172.705
where: short stacking energy: -68.878
Base-Backbone interact. energy: -1.160
local terms energy: -76.372733
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -235.666618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.666618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.666618 (E_RNA)
where:
Base-Base interactions energy: -165.482
where: short stacking energy: -72.485
Base-Backbone interact. energy: -0.953
local terms energy: -69.231368
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -242.817437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.817437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.817437 (E_RNA)
where:
Base-Base interactions energy: -168.987
where: short stacking energy: -69.516
Base-Backbone interact. energy: 1.154
local terms energy: -74.984397
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -13.102
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: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -204.744774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744774 (E_RNA)
where:
Base-Base interactions energy: -122.379
where: short stacking energy: -70.634
Base-Backbone interact. energy: -0.035
local terms energy: -82.330400
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -175.129503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.129503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.129503 (E_RNA)
where:
Base-Base interactions energy: -105.183
where: short stacking energy: -59.816
Base-Backbone interact. energy: -0.018
local terms energy: -69.929369
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -109.959199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.959199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.959199 (E_RNA)
where:
Base-Base interactions energy: -49.605
where: short stacking energy: -39.565
Base-Backbone interact. energy: 0.889
local terms energy: -61.243273
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -92.167294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.167294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.167294 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -23.364
Base-Backbone interact. energy: -1.137
local terms energy: -43.902897
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -5.506
flat angles P-C4'-P energy: -7.431
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: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -87.327746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.327746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.327746 (E_RNA)
where:
Base-Base interactions energy: -46.113
where: short stacking energy: -15.640
Base-Backbone interact. energy: -0.114
local terms energy: -41.101388
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -2.177
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: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -80.570897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570897 (E_RNA)
where:
Base-Base interactions energy: -23.017
where: short stacking energy: -21.881
Base-Backbone interact. energy: -0.459
local terms energy: -57.094438
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -83.450762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450762 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.302
local terms energy: -46.366450
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -245.729935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.729935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.729935 (E_RNA)
where:
Base-Base interactions energy: -165.566
where: short stacking energy: -74.260
Base-Backbone interact. energy: -0.242
local terms energy: -79.922716
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.595
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: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -234.213919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.213919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.213919 (E_RNA)
where:
Base-Base interactions energy: -159.608
where: short stacking energy: -69.378
Base-Backbone interact. energy: 1.647
local terms energy: -76.253510
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -9.785
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: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -234.998459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.998459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.998459 (E_RNA)
where:
Base-Base interactions energy: -165.059
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.556
local terms energy: -69.383555
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.819
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: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -201.590906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.590906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.590906 (E_RNA)
where:
Base-Base interactions energy: -130.144
where: short stacking energy: -57.226
Base-Backbone interact. energy: -0.074
local terms energy: -71.373302
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -176.585522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.585522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.585522 (E_RNA)
where:
Base-Base interactions energy: -104.352
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.122
local terms energy: -72.111581
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -97.501228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.501228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.501228 (E_RNA)
where:
Base-Base interactions energy: -38.702
where: short stacking energy: -38.119
Base-Backbone interact. energy: 0.232
local terms energy: -59.031915
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -96.871685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.871685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.871685 (E_RNA)
where:
Base-Base interactions energy: -33.972
where: short stacking energy: -30.900
Base-Backbone interact. energy: 0.070
local terms energy: -62.969127
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -12.398
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: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -98.273943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.273943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.273943 (E_RNA)
where:
Base-Base interactions energy: -42.102
where: short stacking energy: -29.624
Base-Backbone interact. energy: -0.412
local terms energy: -55.759406
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -86.250829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.250829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.250829 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -27.741
Base-Backbone interact. energy: -0.450
local terms energy: -55.184400
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -3.197
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: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -83.530105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.530105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.530105 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.269
local terms energy: -49.095921
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.321
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: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -240.525603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.525603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.525603 (E_RNA)
where:
Base-Base interactions energy: -169.692
where: short stacking energy: -70.709
Base-Backbone interact. energy: -0.249
local terms energy: -70.584527
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -238.854741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.854741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.854741 (E_RNA)
where:
Base-Base interactions energy: -162.275
where: short stacking energy: -62.490
Base-Backbone interact. energy: 0.005
local terms energy: -76.584588
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -236.655387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.655387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.655387 (E_RNA)
where:
Base-Base interactions energy: -160.028
where: short stacking energy: -75.236
Base-Backbone interact. energy: -0.140
local terms energy: -76.487057
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -12.109
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: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -196.208828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.208828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.208828 (E_RNA)
where:
Base-Base interactions energy: -121.190
where: short stacking energy: -69.751
Base-Backbone interact. energy: -0.067
local terms energy: -74.952339
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -7.340
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: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -193.789642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.789642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.789642 (E_RNA)
where:
Base-Base interactions energy: -129.411
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.049
local terms energy: -64.329511
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -123.630191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.630191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.630191 (E_RNA)
where:
Base-Base interactions energy: -64.391
where: short stacking energy: -42.628
Base-Backbone interact. energy: -0.907
local terms energy: -58.332484
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -96.142520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.142520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.142520 (E_RNA)
where:
Base-Base interactions energy: -37.541
where: short stacking energy: -37.541
Base-Backbone interact. energy: -0.031
local terms energy: -58.570833
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -122.442971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.442971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.442971 (E_RNA)
where:
Base-Base interactions energy: -69.669
where: short stacking energy: -41.495
Base-Backbone interact. energy: -0.041
local terms energy: -52.732583
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -0.311
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -87.235665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.235665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.235665 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -28.646
Base-Backbone interact. energy: -0.465
local terms energy: -52.084420
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -101.387071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.387071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.387071 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -36.525
Base-Backbone interact. energy: -0.086
local terms energy: -60.379473
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.005
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: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -236.644843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.644843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.644843 (E_RNA)
where:
Base-Base interactions energy: -161.878
where: short stacking energy: -75.111
Base-Backbone interact. energy: 0.632
local terms energy: -75.399031
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -242.113172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.113172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.113172 (E_RNA)
where:
Base-Base interactions energy: -160.991
where: short stacking energy: -63.954
Base-Backbone interact. energy: 1.897
local terms energy: -83.019094
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -13.855
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: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -237.616627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.616627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.616627 (E_RNA)
where:
Base-Base interactions energy: -165.960
where: short stacking energy: -75.007
Base-Backbone interact. energy: 1.451
local terms energy: -73.107209
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -11.708
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: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -194.290685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.290685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.290685 (E_RNA)
where:
Base-Base interactions energy: -118.459
where: short stacking energy: -57.794
Base-Backbone interact. energy: -1.119
local terms energy: -74.712636
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -187.794102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.794102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.794102 (E_RNA)
where:
Base-Base interactions energy: -112.940
where: short stacking energy: -61.579
Base-Backbone interact. energy: 0.111
local terms energy: -74.964352
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -7.450
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: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -96.670654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.670654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.670654 (E_RNA)
where:
Base-Base interactions energy: -38.624
where: short stacking energy: -36.237
Base-Backbone interact. energy: -0.153
local terms energy: -57.893898
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -117.279511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.279511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.279511 (E_RNA)
where:
Base-Base interactions energy: -65.125
where: short stacking energy: -37.440
Base-Backbone interact. energy: -0.291
local terms energy: -51.863032
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -7.448
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: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -98.805656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.805656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.805656 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -36.269
Base-Backbone interact. energy: -0.809
local terms energy: -47.609009
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -6.579
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: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -87.972577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972577 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -26.249
Base-Backbone interact. energy: 1.753
local terms energy: -48.975760
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -5.750
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -87.495985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.495985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.495985 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -24.593
Base-Backbone interact. energy: -1.024
local terms energy: -42.849919
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -233.903431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.903431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.903431 (E_RNA)
where:
Base-Base interactions energy: -159.000
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.762
local terms energy: -74.141738
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -10.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -244.101909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.101909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.101909 (E_RNA)
where:
Base-Base interactions energy: -162.946
where: short stacking energy: -71.376
Base-Backbone interact. energy: -0.739
local terms energy: -80.416883
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -235.148823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.148823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.148823 (E_RNA)
where:
Base-Base interactions energy: -167.023
where: short stacking energy: -63.263
Base-Backbone interact. energy: 0.054
local terms energy: -68.179590
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -193.837593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.837593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.837593 (E_RNA)
where:
Base-Base interactions energy: -125.950
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.047
local terms energy: -67.839909
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -181.838725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.838725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.838725 (E_RNA)
where:
Base-Base interactions energy: -113.652
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.191
local terms energy: -67.995717
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -13.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -132.548222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.548222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.548222 (E_RNA)
where:
Base-Base interactions energy: -58.551
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.424
local terms energy: -73.573462
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -114.282734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.282734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.282734 (E_RNA)
where:
Base-Base interactions energy: -54.825
where: short stacking energy: -34.773
Base-Backbone interact. energy: -0.491
local terms energy: -58.966830
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -104.965939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.965939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.965939 (E_RNA)
where:
Base-Base interactions energy: -49.124
where: short stacking energy: -30.884
Base-Backbone interact. energy: -0.252
local terms energy: -55.589579
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -7.439
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: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -89.861688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.861688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.861688 (E_RNA)
where:
Base-Base interactions energy: -32.450
where: short stacking energy: -32.450
Base-Backbone interact. energy: 1.166
local terms energy: -58.577362
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -11.357
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: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -79.024919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.024919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.024919 (E_RNA)
where:
Base-Base interactions energy: -28.834
where: short stacking energy: -27.316
Base-Backbone interact. energy: -0.221
local terms energy: -49.969565
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -0.419
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: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -262.725221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.725221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.725221 (E_RNA)
where:
Base-Base interactions energy: -190.262
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.802
local terms energy: -71.661021
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -240.574477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.574477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.574477 (E_RNA)
where:
Base-Base interactions energy: -168.386
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.457
local terms energy: -71.731852
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -242.144255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.144255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.144255 (E_RNA)
where:
Base-Base interactions energy: -163.496
where: short stacking energy: -71.832
Base-Backbone interact. energy: 0.231
local terms energy: -78.879413
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -189.181247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.181247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.181247 (E_RNA)
where:
Base-Base interactions energy: -116.864
where: short stacking energy: -69.517
Base-Backbone interact. energy: -0.002
local terms energy: -72.315476
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -138.958322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.958322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.958322 (E_RNA)
where:
Base-Base interactions energy: -64.257
where: short stacking energy: -41.289
Base-Backbone interact. energy: -0.013
local terms energy: -74.688821
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -179.888051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.888051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.888051 (E_RNA)
where:
Base-Base interactions energy: -116.697
where: short stacking energy: -45.123
Base-Backbone interact. energy: -0.860
local terms energy: -62.331880
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -11.582
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: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -105.546070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.546070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.546070 (E_RNA)
where:
Base-Base interactions energy: -48.240
where: short stacking energy: -39.755
Base-Backbone interact. energy: -0.054
local terms energy: -57.252334
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.316
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: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -90.358199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.358199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.358199 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -29.907
Base-Backbone interact. energy: -0.163
local terms energy: -53.200083
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -76.150538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.150538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.150538 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -19.091
Base-Backbone interact. energy: -0.181
local terms energy: -44.556649
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: 5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -84.379935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.379935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.379935 (E_RNA)
where:
Base-Base interactions energy: -33.163
where: short stacking energy: -33.163
Base-Backbone interact. energy: 1.662
local terms energy: -52.878972
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -12.886
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: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -260.526482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.526482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.526482 (E_RNA)
where:
Base-Base interactions energy: -183.367
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.026
local terms energy: -77.133750
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -250.097690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.097690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.097690 (E_RNA)
where:
Base-Base interactions energy: -168.596
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.252
local terms energy: -81.248800
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -14.962
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: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -235.100876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.100876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.100876 (E_RNA)
where:
Base-Base interactions energy: -151.993
where: short stacking energy: -62.303
Base-Backbone interact. energy: 0.001
local terms energy: -83.109106
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -11.752
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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -198.226900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.226900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.226900 (E_RNA)
where:
Base-Base interactions energy: -117.776
where: short stacking energy: -69.623
Base-Backbone interact. energy: 0.743
local terms energy: -81.193934
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -125.993387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.993387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.993387 (E_RNA)
where:
Base-Base interactions energy: -61.281
where: short stacking energy: -39.162
Base-Backbone interact. energy: -0.382
local terms energy: -64.330493
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -177.228876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.228876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.228876 (E_RNA)
where:
Base-Base interactions energy: -104.839
where: short stacking energy: -57.242
Base-Backbone interact. energy: -0.011
local terms energy: -72.378612
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -17.480
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: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -135.537834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.537834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.537834 (E_RNA)
where:
Base-Base interactions energy: -76.557
where: short stacking energy: -37.648
Base-Backbone interact. energy: -1.682
local terms energy: -57.298428
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -93.955176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.955176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.955176 (E_RNA)
where:
Base-Base interactions energy: -36.646
where: short stacking energy: -33.978
Base-Backbone interact. energy: 0.333
local terms energy: -57.642465
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.432
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: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -92.919571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919571 (E_RNA)
where:
Base-Base interactions energy: -31.206
where: short stacking energy: -21.720
Base-Backbone interact. energy: -0.238
local terms energy: -61.475503
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -80.869583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.869583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.869583 (E_RNA)
where:
Base-Base interactions energy: -26.456
where: short stacking energy: -25.557
Base-Backbone interact. energy: -0.238
local terms energy: -54.174869
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -252.269421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.269421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.269421 (E_RNA)
where:
Base-Base interactions energy: -173.963
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.243
local terms energy: -78.063505
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -19.003
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: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -248.815796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.815796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.815796 (E_RNA)
where:
Base-Base interactions energy: -175.494
where: short stacking energy: -71.318
Base-Backbone interact. energy: 0.021
local terms energy: -73.342082
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -241.294987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.294987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.294987 (E_RNA)
where:
Base-Base interactions energy: -162.077
where: short stacking energy: -66.818
Base-Backbone interact. energy: -0.388
local terms energy: -78.829708
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -14.697
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: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -186.123658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.123658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.123658 (E_RNA)
where:
Base-Base interactions energy: -125.083
where: short stacking energy: -54.710
Base-Backbone interact. energy: -0.235
local terms energy: -60.805981
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -12.344
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: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -200.437580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.437580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.437580 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -64.405
Base-Backbone interact. energy: -0.032
local terms energy: -77.119683
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -116.797029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.797029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.797029 (E_RNA)
where:
Base-Base interactions energy: -47.793
where: short stacking energy: -42.141
Base-Backbone interact. energy: -0.266
local terms energy: -68.738048
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -97.718024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.718024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.718024 (E_RNA)
where:
Base-Base interactions energy: -45.085
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.037
local terms energy: -52.595965
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -1.564
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -145.559517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.559517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.559517 (E_RNA)
where:
Base-Base interactions energy: -90.823
where: short stacking energy: -42.297
Base-Backbone interact. energy: -1.810
local terms energy: -52.926486
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -93.672574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.672574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.672574 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -34.061
Base-Backbone interact. energy: -0.050
local terms energy: -52.842976
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -6.688
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.468
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: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -85.163113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.163113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.163113 (E_RNA)
where:
Base-Base interactions energy: -23.015
where: short stacking energy: -19.181
Base-Backbone interact. energy: -1.094
local terms energy: -61.054063
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -257.168330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.168330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.168330 (E_RNA)
where:
Base-Base interactions energy: -171.564
where: short stacking energy: -62.976
Base-Backbone interact. energy: -1.265
local terms energy: -84.339121
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -8.477
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: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -234.594997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.594997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.594997 (E_RNA)
where:
Base-Base interactions energy: -159.105
where: short stacking energy: -66.163
Base-Backbone interact. energy: -0.356
local terms energy: -75.134079
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -228.614948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.614948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.614948 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -72.486
Base-Backbone interact. energy: -0.405
local terms energy: -77.044641
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -17.816
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: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -210.848017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.848017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.848017 (E_RNA)
where:
Base-Base interactions energy: -133.700
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.053
local terms energy: -77.094845
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -190.406775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.406775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.406775 (E_RNA)
where:
Base-Base interactions energy: -124.971
where: short stacking energy: -58.630
Base-Backbone interact. energy: 0.058
local terms energy: -65.493209
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -98.613411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.613411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.613411 (E_RNA)
where:
Base-Base interactions energy: -39.716
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.716
local terms energy: -58.181478
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -8.430
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: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -99.914769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.914769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.914769 (E_RNA)
where:
Base-Base interactions energy: -35.369
where: short stacking energy: -32.819
Base-Backbone interact. energy: -0.416
local terms energy: -64.129628
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -153.271097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.271097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.271097 (E_RNA)
where:
Base-Base interactions energy: -83.893
where: short stacking energy: -40.451
Base-Backbone interact. energy: 1.015
local terms energy: -70.393411
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -81.240218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.240218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.240218 (E_RNA)
where:
Base-Base interactions energy: -24.747
where: short stacking energy: -24.127
Base-Backbone interact. energy: 0.309
local terms energy: -56.802159
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -7.071
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: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -92.300217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.300217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.300217 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -26.924
Base-Backbone interact. energy: -0.893
local terms energy: -56.806587
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -258.540778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.540778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.540778 (E_RNA)
where:
Base-Base interactions energy: -174.748
where: short stacking energy: -75.859
Base-Backbone interact. energy: -0.704
local terms energy: -83.088591
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -16.995
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: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -252.819369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.819369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.819369 (E_RNA)
where:
Base-Base interactions energy: -176.914
where: short stacking energy: -74.112
Base-Backbone interact. energy: -0.381
local terms energy: -75.524402
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -234.083285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.083285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.083285 (E_RNA)
where:
Base-Base interactions energy: -164.010
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.739
local terms energy: -69.333418
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -204.744794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.744794 (E_RNA)
where:
Base-Base interactions energy: -134.789
where: short stacking energy: -61.445
Base-Backbone interact. energy: -0.636
local terms energy: -69.320258
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -15.987
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: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -196.642188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.642188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.642188 (E_RNA)
where:
Base-Base interactions energy: -128.507
where: short stacking energy: -55.580
Base-Backbone interact. energy: -0.923
local terms energy: -67.212745
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -7.526
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: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -103.576355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.576355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.576355 (E_RNA)
where:
Base-Base interactions energy: -52.973
where: short stacking energy: -29.428
Base-Backbone interact. energy: 0.182
local terms energy: -50.786223
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -160.327657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.327657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.327657 (E_RNA)
where:
Base-Base interactions energy: -95.789
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.361
local terms energy: -64.177317
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -5.623
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -8.770
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: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -98.639317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.639317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.639317 (E_RNA)
where:
Base-Base interactions energy: -51.129
where: short stacking energy: -31.711
Base-Backbone interact. energy: 1.139
local terms energy: -48.649132
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: 2.018
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: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -105.601200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.601200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.601200 (E_RNA)
where:
Base-Base interactions energy: -51.014
where: short stacking energy: -39.241
Base-Backbone interact. energy: -0.041
local terms energy: -54.546368
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -7.779
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -80.190686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.190686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.190686 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -36.466
Base-Backbone interact. energy: 0.798
local terms energy: -41.586157
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -254.736755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.736755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.736755 (E_RNA)
where:
Base-Base interactions energy: -184.761
where: short stacking energy: -72.685
Base-Backbone interact. energy: -0.055
local terms energy: -69.921001
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -251.481967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.481967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.481967 (E_RNA)
where:
Base-Base interactions energy: -171.680
where: short stacking energy: -71.475
Base-Backbone interact. energy: -0.125
local terms energy: -79.676262
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -12.093
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: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -236.694221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.694221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.694221 (E_RNA)
where:
Base-Base interactions energy: -166.869
where: short stacking energy: -69.442
Base-Backbone interact. energy: -0.276
local terms energy: -69.549064
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -187.104969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.104969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.104969 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -51.243
Base-Backbone interact. energy: -1.692
local terms energy: -74.246689
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -12.651
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: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -185.051374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.051374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.051374 (E_RNA)
where:
Base-Base interactions energy: -116.998
where: short stacking energy: -55.441
Base-Backbone interact. energy: -0.209
local terms energy: -67.844502
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -169.317865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.317865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.317865 (E_RNA)
where:
Base-Base interactions energy: -108.778
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.279
local terms energy: -60.261657
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -99.850022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.850022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.850022 (E_RNA)
where:
Base-Base interactions energy: -41.242
where: short stacking energy: -41.242
Base-Backbone interact. energy: -0.137
local terms energy: -58.471666
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -95.646996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.646996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.646996 (E_RNA)
where:
Base-Base interactions energy: -43.603
where: short stacking energy: -34.740
Base-Backbone interact. energy: -0.148
local terms energy: -51.895836
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -82.802859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.802859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.802859 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -26.730
Base-Backbone interact. energy: -0.332
local terms energy: -51.124328
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -7.284
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: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -80.755245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.755245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.755245 (E_RNA)
where:
Base-Base interactions energy: -36.512
where: short stacking energy: -17.124
Base-Backbone interact. energy: -0.746
local terms energy: -43.497403
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -260.823455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.823455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.823455 (E_RNA)
where:
Base-Base interactions energy: -176.592
where: short stacking energy: -66.897
Base-Backbone interact. energy: -0.762
local terms energy: -83.469567
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -251.197660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.197660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.197660 (E_RNA)
where:
Base-Base interactions energy: -172.973
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.138
local terms energy: -78.086563
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -228.286488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.286488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.286488 (E_RNA)
where:
Base-Base interactions energy: -153.029
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.763
local terms energy: -74.495091
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -195.254395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.254395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.254395 (E_RNA)
where:
Base-Base interactions energy: -117.025
where: short stacking energy: -48.586
Base-Backbone interact. energy: 0.256
local terms energy: -78.486099
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -175.762113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.762113 (E_RNA)
where:
Base-Base interactions energy: -97.661
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.006
local terms energy: -78.095081
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -164.533042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.533042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.533042 (E_RNA)
where:
Base-Base interactions energy: -88.906
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.219
local terms energy: -75.408401
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -103.978193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.978193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.978193 (E_RNA)
where:
Base-Base interactions energy: -52.264
where: short stacking energy: -38.202
Base-Backbone interact. energy: -0.142
local terms energy: -51.572411
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -95.146316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.146316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.146316 (E_RNA)
where:
Base-Base interactions energy: -50.603
where: short stacking energy: -24.820
Base-Backbone interact. energy: -1.276
local terms energy: -43.267469
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -1.439
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: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -114.682235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.682235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.682235 (E_RNA)
where:
Base-Base interactions energy: -63.993
where: short stacking energy: -34.906
Base-Backbone interact. energy: 0.633
local terms energy: -51.322085
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -79.477112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.477112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.477112 (E_RNA)
where:
Base-Base interactions energy: -26.057
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.309
local terms energy: -53.111366
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: 0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -251.239639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.239639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.239639 (E_RNA)
where:
Base-Base interactions energy: -170.270
where: short stacking energy: -77.567
Base-Backbone interact. energy: -0.596
local terms energy: -80.373447
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -245.041038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.041038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.041038 (E_RNA)
where:
Base-Base interactions energy: -165.012
where: short stacking energy: -76.071
Base-Backbone interact. energy: -1.032
local terms energy: -78.997173
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -22.548
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: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -249.280298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.280298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.280298 (E_RNA)
where:
Base-Base interactions energy: -173.115
where: short stacking energy: -76.857
Base-Backbone interact. energy: -0.121
local terms energy: -76.044048
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -11.034
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: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -177.647795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.647795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.647795 (E_RNA)
where:
Base-Base interactions energy: -112.019
where: short stacking energy: -63.849
Base-Backbone interact. energy: -0.010
local terms energy: -65.619256
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -6.168
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: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -183.065038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.065038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.065038 (E_RNA)
where:
Base-Base interactions energy: -117.876
where: short stacking energy: -56.558
Base-Backbone interact. energy: -1.354
local terms energy: -63.834993
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -163.646603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.646603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.646603 (E_RNA)
where:
Base-Base interactions energy: -98.987
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.001
local terms energy: -64.658658
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -104.787417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.787417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.787417 (E_RNA)
where:
Base-Base interactions energy: -45.616
where: short stacking energy: -44.011
Base-Backbone interact. energy: -0.012
local terms energy: -59.159027
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -80.781639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.781639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.781639 (E_RNA)
where:
Base-Base interactions energy: -24.965
where: short stacking energy: -21.564
Base-Backbone interact. energy: -0.521
local terms energy: -55.295614
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -84.061909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.061909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.061909 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -32.054
Base-Backbone interact. energy: -0.118
local terms energy: -50.705642
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -5.859
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: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -88.261045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261045 (E_RNA)
where:
Base-Base interactions energy: -28.044
where: short stacking energy: -24.960
Base-Backbone interact. energy: -1.200
local terms energy: -59.016867
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -246.503390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.503390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.503390 (E_RNA)
where:
Base-Base interactions energy: -167.449
where: short stacking energy: -70.983
Base-Backbone interact. energy: 0.118
local terms energy: -79.172148
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -250.430310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.430310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.430310 (E_RNA)
where:
Base-Base interactions energy: -173.080
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.168
local terms energy: -77.182564
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -235.262446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.262446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.262446 (E_RNA)
where:
Base-Base interactions energy: -165.492
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.051
local terms energy: -69.719384
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.505
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: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -187.334695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.334695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.334695 (E_RNA)
where:
Base-Base interactions energy: -115.173
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.080
local terms energy: -72.081607
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -196.046650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.046650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.046650 (E_RNA)
where:
Base-Base interactions energy: -127.073
where: short stacking energy: -63.845
Base-Backbone interact. energy: -0.418
local terms energy: -68.555195
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -179.792784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.792784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.792784 (E_RNA)
where:
Base-Base interactions energy: -116.632
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.167
local terms energy: -62.993438
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -102.615683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.615683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.615683 (E_RNA)
where:
Base-Base interactions energy: -42.875
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.368
local terms energy: -59.372707
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -12.886
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: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -91.708445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708445 (E_RNA)
where:
Base-Base interactions energy: -37.129
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.159
local terms energy: -54.420283
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -100.733442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.733442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.733442 (E_RNA)
where:
Base-Base interactions energy: -55.652
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.323
local terms energy: -44.758528
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -76.279345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.279345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.279345 (E_RNA)
where:
Base-Base interactions energy: -21.400
where: short stacking energy: -19.531
Base-Backbone interact. energy: 0.895
local terms energy: -55.774422
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -1.366
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: 345
Temperature: 0.900000
Total energy: -249.429661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.429661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.429661 (E_RNA)
where:
Base-Base interactions energy: -164.797
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.927
local terms energy: -83.706181
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -239.492765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.492765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.492765 (E_RNA)
where:
Base-Base interactions energy: -162.294
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.378
local terms energy: -76.820481
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -9.870
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: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -245.913063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.913063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.913063 (E_RNA)
where:
Base-Base interactions energy: -163.606
where: short stacking energy: -67.939
Base-Backbone interact. energy: -0.464
local terms energy: -81.842754
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -210.302621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.302621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.302621 (E_RNA)
where:
Base-Base interactions energy: -138.361
where: short stacking energy: -58.995
Base-Backbone interact. energy: -0.230
local terms energy: -71.711864
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -191.190311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.190311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.190311 (E_RNA)
where:
Base-Base interactions energy: -120.751
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.058
local terms energy: -70.381306
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -14.308
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: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -166.746123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.746123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.746123 (E_RNA)
where:
Base-Base interactions energy: -102.760
where: short stacking energy: -51.594
Base-Backbone interact. energy: -0.093
local terms energy: -63.892568
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -93.953655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.953655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.953655 (E_RNA)
where:
Base-Base interactions energy: -39.227
where: short stacking energy: -30.960
Base-Backbone interact. energy: -0.135
local terms energy: -54.591582
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -10.214
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -152.888395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.888395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.888395 (E_RNA)
where:
Base-Base interactions energy: -83.224
where: short stacking energy: -40.232
Base-Backbone interact. energy: -0.057
local terms energy: -69.607856
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -91.412879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.412879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.412879 (E_RNA)
where:
Base-Base interactions energy: -32.205
where: short stacking energy: -32.205
Base-Backbone interact. energy: -0.108
local terms energy: -59.100331
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -79.448718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.448718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.448718 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -20.302
Base-Backbone interact. energy: 0.234
local terms energy: -52.501327
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -250.044290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.044290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.044290 (E_RNA)
where:
Base-Base interactions energy: -171.435
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.232
local terms energy: -78.377587
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -12.155
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: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -232.750340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.750340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.750340 (E_RNA)
where:
Base-Base interactions energy: -153.280
where: short stacking energy: -62.731
Base-Backbone interact. energy: -1.432
local terms energy: -78.038293
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -9.207
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: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -248.646279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.646279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.646279 (E_RNA)
where:
Base-Base interactions energy: -163.206
where: short stacking energy: -76.910
Base-Backbone interact. energy: -0.416
local terms energy: -85.024216
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -23.905
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: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -207.431839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.431839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.431839 (E_RNA)
where:
Base-Base interactions energy: -136.948
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.179
local terms energy: -70.304531
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -191.209438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.209438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.209438 (E_RNA)
where:
Base-Base interactions energy: -114.968
where: short stacking energy: -63.155
Base-Backbone interact. energy: -0.017
local terms energy: -76.224388
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -169.614877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.614877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.614877 (E_RNA)
where:
Base-Base interactions energy: -104.080
where: short stacking energy: -46.352
Base-Backbone interact. energy: -3.032
local terms energy: -62.502542
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -159.965595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.965595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.965595 (E_RNA)
where:
Base-Base interactions energy: -98.862
where: short stacking energy: -43.127
Base-Backbone interact. energy: 0.067
local terms energy: -61.170967
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -107.051367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.051367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.051367 (E_RNA)
where:
Base-Base interactions energy: -53.448
where: short stacking energy: -31.108
Base-Backbone interact. energy: -0.168
local terms energy: -53.434875
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -85.136766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.136766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.136766 (E_RNA)
where:
Base-Base interactions energy: -36.224
where: short stacking energy: -31.670
Base-Backbone interact. energy: -0.087
local terms energy: -48.825447
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -82.289177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289177 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.167
local terms energy: -51.804105
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -253.472067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.472067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.472067 (E_RNA)
where:
Base-Base interactions energy: -174.441
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.430
local terms energy: -78.601030
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -8.847
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: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -237.788323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.788323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.788323 (E_RNA)
where:
Base-Base interactions energy: -150.811
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.765
local terms energy: -86.212461
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -229.172348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172348 (E_RNA)
where:
Base-Base interactions energy: -163.396
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.002
local terms energy: -65.774592
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -206.647117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.647117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.647117 (E_RNA)
where:
Base-Base interactions energy: -139.066
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.638
local terms energy: -66.943389
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -14.371
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: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -195.135429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.135429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.135429 (E_RNA)
where:
Base-Base interactions energy: -117.298
where: short stacking energy: -67.879
Base-Backbone interact. energy: 1.184
local terms energy: -79.021428
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -190.633179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.633179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.633179 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -54.208
Base-Backbone interact. energy: -0.084
local terms energy: -69.147766
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -137.326847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.326847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.326847 (E_RNA)
where:
Base-Base interactions energy: -74.150
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.281
local terms energy: -62.895470
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -96.490308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.490308 (E_RNA)
where:
Base-Base interactions energy: -48.237
where: short stacking energy: -43.908
Base-Backbone interact. energy: -0.057
local terms energy: -48.195928
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -8.005
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -8.098
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: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -103.969237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.969237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.969237 (E_RNA)
where:
Base-Base interactions energy: -43.486
where: short stacking energy: -37.777
Base-Backbone interact. energy: -0.170
local terms energy: -60.312892
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -79.605866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605866 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -13.379
Base-Backbone interact. energy: -0.330
local terms energy: -47.573608
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -252.171351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.171351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.171351 (E_RNA)
where:
Base-Base interactions energy: -170.436
where: short stacking energy: -65.578
Base-Backbone interact. energy: -0.464
local terms energy: -81.271358
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -245.867020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.867020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.867020 (E_RNA)
where:
Base-Base interactions energy: -160.443
where: short stacking energy: -76.050
Base-Backbone interact. energy: -0.807
local terms energy: -84.616888
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.275
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: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -242.325142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.325142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.325142 (E_RNA)
where:
Base-Base interactions energy: -175.197
where: short stacking energy: -62.344
Base-Backbone interact. energy: -0.085
local terms energy: -67.043675
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -208.426537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.426537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.426537 (E_RNA)
where:
Base-Base interactions energy: -140.818
where: short stacking energy: -57.509
Base-Backbone interact. energy: 1.582
local terms energy: -69.190713
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -190.300504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.300504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.300504 (E_RNA)
where:
Base-Base interactions energy: -125.782
where: short stacking energy: -49.859
Base-Backbone interact. energy: -0.140
local terms energy: -64.378048
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -181.575882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.575882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.575882 (E_RNA)
where:
Base-Base interactions energy: -110.552
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.010
local terms energy: -71.013869
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -142.592045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.592045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.592045 (E_RNA)
where:
Base-Base interactions energy: -85.468
where: short stacking energy: -43.346
Base-Backbone interact. energy: 1.059
local terms energy: -58.182767
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -9.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -80.958695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.958695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.958695 (E_RNA)
where:
Base-Base interactions energy: -31.646
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.009
local terms energy: -49.303729
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -92.265927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.265927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.265927 (E_RNA)
where:
Base-Base interactions energy: -36.806
where: short stacking energy: -36.806
Base-Backbone interact. energy: -0.092
local terms energy: -55.367098
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -88.316316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.316316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.316316 (E_RNA)
where:
Base-Base interactions energy: -34.884
where: short stacking energy: -20.515
Base-Backbone interact. energy: -0.429
local terms energy: -53.002529
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -0.803
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: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -264.903446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.903446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.903446 (E_RNA)
where:
Base-Base interactions energy: -176.380
where: short stacking energy: -72.780
Base-Backbone interact. energy: -0.076
local terms energy: -88.447354
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -243.467203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.467203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.467203 (E_RNA)
where:
Base-Base interactions energy: -159.149
where: short stacking energy: -77.308
Base-Backbone interact. energy: -0.396
local terms energy: -83.921978
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -239.285594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.285594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.285594 (E_RNA)
where:
Base-Base interactions energy: -175.036
where: short stacking energy: -56.882
Base-Backbone interact. energy: 0.464
local terms energy: -64.712888
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -214.342523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.342523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.342523 (E_RNA)
where:
Base-Base interactions energy: -138.049
where: short stacking energy: -68.149
Base-Backbone interact. energy: -0.578
local terms energy: -75.715547
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -12.690
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: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -189.144024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.144024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.144024 (E_RNA)
where:
Base-Base interactions energy: -112.681
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.001
local terms energy: -76.462166
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -195.985552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.985552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.985552 (E_RNA)
where:
Base-Base interactions energy: -121.753
where: short stacking energy: -66.803
Base-Backbone interact. energy: -0.038
local terms energy: -74.194562
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -145.480514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.480514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.480514 (E_RNA)
where:
Base-Base interactions energy: -82.627
where: short stacking energy: -32.494
Base-Backbone interact. energy: -0.637
local terms energy: -62.216431
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -82.311999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.311999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.311999 (E_RNA)
where:
Base-Base interactions energy: -39.729
where: short stacking energy: -26.193
Base-Backbone interact. energy: 1.549
local terms energy: -44.131925
where:
bonds (distance) C4'-P energy: -5.384
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -88.036912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.036912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.036912 (E_RNA)
where:
Base-Base interactions energy: -28.722
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.132
local terms energy: -59.182804
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -11.012
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: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -83.057520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.057520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.057520 (E_RNA)
where:
Base-Base interactions energy: -37.011
where: short stacking energy: -37.011
Base-Backbone interact. energy: -0.064
local terms energy: -45.983040
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -254.644464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.644464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.644464 (E_RNA)
where:
Base-Base interactions energy: -182.526
where: short stacking energy: -70.927
Base-Backbone interact. energy: -0.056
local terms energy: -72.062030
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -17.774
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: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -242.942567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.942567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.942567 (E_RNA)
where:
Base-Base interactions energy: -172.697
where: short stacking energy: -73.240
Base-Backbone interact. energy: -0.448
local terms energy: -69.797701
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -213.646311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.646311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.646311 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.010
local terms energy: -81.293585
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -229.719102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.719102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.719102 (E_RNA)
where:
Base-Base interactions energy: -161.584
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.406
local terms energy: -67.729593
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -9.249
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: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -190.293662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.293662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.293662 (E_RNA)
where:
Base-Base interactions energy: -115.844
where: short stacking energy: -66.623
Base-Backbone interact. energy: 0.077
local terms energy: -74.526426
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -182.946137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.946137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.946137 (E_RNA)
where:
Base-Base interactions energy: -110.685
where: short stacking energy: -47.235
Base-Backbone interact. energy: -0.208
local terms energy: -72.052609
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -150.776192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.776192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.776192 (E_RNA)
where:
Base-Base interactions energy: -89.541
where: short stacking energy: -50.103
Base-Backbone interact. energy: -0.098
local terms energy: -61.137923
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -8.010
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: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -96.883749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.883749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.883749 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -36.529
Base-Backbone interact. energy: -0.308
local terms energy: -59.185812
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -84.632207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.632207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.632207 (E_RNA)
where:
Base-Base interactions energy: -35.220
where: short stacking energy: -25.822
Base-Backbone interact. energy: -0.765
local terms energy: -48.647955
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: 2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -87.443882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.443882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.443882 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.362
local terms energy: -53.695276
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -253.609057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.609057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.609057 (E_RNA)
where:
Base-Base interactions energy: -177.405
where: short stacking energy: -69.658
Base-Backbone interact. energy: -0.014
local terms energy: -76.189808
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -245.619679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.619679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.619679 (E_RNA)
where:
Base-Base interactions energy: -166.884
where: short stacking energy: -78.830
Base-Backbone interact. energy: -1.012
local terms energy: -77.723884
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -211.226429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.226429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.226429 (E_RNA)
where:
Base-Base interactions energy: -134.435
where: short stacking energy: -60.059
Base-Backbone interact. energy: 1.023
local terms energy: -77.813845
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -202.290125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.290125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.290125 (E_RNA)
where:
Base-Base interactions energy: -129.976
where: short stacking energy: -60.962
Base-Backbone interact. energy: -0.147
local terms energy: -72.167254
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -231.972781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.972781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.972781 (E_RNA)
where:
Base-Base interactions energy: -159.014
where: short stacking energy: -61.530
Base-Backbone interact. energy: 0.200
local terms energy: -73.158025
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -10.556
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: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -165.897697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.897697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.897697 (E_RNA)
where:
Base-Base interactions energy: -97.052
where: short stacking energy: -46.540
Base-Backbone interact. energy: -1.307
local terms energy: -67.538660
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.509
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: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -162.277206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.277206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.277206 (E_RNA)
where:
Base-Base interactions energy: -99.696
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.171
local terms energy: -62.409679
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -94.189709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.189709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.189709 (E_RNA)
where:
Base-Base interactions energy: -24.467
where: short stacking energy: -20.023
Base-Backbone interact. energy: -0.567
local terms energy: -69.156152
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -85.652708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.652708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.652708 (E_RNA)
where:
Base-Base interactions energy: -26.682
where: short stacking energy: -22.577
Base-Backbone interact. energy: -0.684
local terms energy: -58.286492
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -84.785105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.785105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.785105 (E_RNA)
where:
Base-Base interactions energy: -34.879
where: short stacking energy: -24.117
Base-Backbone interact. energy: 0.116
local terms energy: -50.021584
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -1.904
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: 352
Temperature: 0.900000
Total energy: -258.158447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.158447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.158447 (E_RNA)
where:
Base-Base interactions energy: -180.754
where: short stacking energy: -74.205
Base-Backbone interact. energy: -0.356
local terms energy: -77.048550
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -247.055592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.055592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.055592 (E_RNA)
where:
Base-Base interactions energy: -166.446
where: short stacking energy: -75.542
Base-Backbone interact. energy: -1.174
local terms energy: -79.435146
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -17.631
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: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -200.542317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542317 (E_RNA)
where:
Base-Base interactions energy: -129.191
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.289
local terms energy: -71.062836
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.826
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: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -199.630047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.630047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.630047 (E_RNA)
where:
Base-Base interactions energy: -126.447
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.027
local terms energy: -73.156032
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -175.245605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.245605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.245605 (E_RNA)
where:
Base-Base interactions energy: -105.592
where: short stacking energy: -56.827
Base-Backbone interact. energy: -0.213
local terms energy: -69.440380
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -7.706
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: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -222.768685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.768685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.768685 (E_RNA)
where:
Base-Base interactions energy: -153.335
where: short stacking energy: -49.830
Base-Backbone interact. energy: -1.608
local terms energy: -67.825685
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -9.863
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: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -99.919000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.919000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.919000 (E_RNA)
where:
Base-Base interactions energy: -47.315
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.571
local terms energy: -52.032607
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -0.456
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: 352
Temperature: 1.250000
Total energy: -150.678644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.678644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.678644 (E_RNA)
where:
Base-Base interactions energy: -97.446
where: short stacking energy: -46.147
Base-Backbone interact. energy: -1.395
local terms energy: -51.837200
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -118.526382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.526382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.526382 (E_RNA)
where:
Base-Base interactions energy: -59.803
where: short stacking energy: -36.980
Base-Backbone interact. energy: 0.339
local terms energy: -59.062928
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -77.928578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.928578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.928578 (E_RNA)
where:
Base-Base interactions energy: -27.754
where: short stacking energy: -24.764
Base-Backbone interact. energy: 0.771
local terms energy: -50.945416
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: 0.206
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: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -250.616924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.616924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.616924 (E_RNA)
where:
Base-Base interactions energy: -174.824
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.437
local terms energy: -75.355894
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -12.675
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: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -235.934865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.934865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.934865 (E_RNA)
where:
Base-Base interactions energy: -160.635
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.185
local terms energy: -75.114631
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -199.225735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.225735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225735 (E_RNA)
where:
Base-Base interactions energy: -128.857
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.177
local terms energy: -70.191603
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -179.119146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.119146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.119146 (E_RNA)
where:
Base-Base interactions energy: -104.126
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.071
local terms energy: -74.922260
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -208.504941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504941 (E_RNA)
where:
Base-Base interactions energy: -126.503
where: short stacking energy: -77.026
Base-Backbone interact. energy: -0.165
local terms energy: -81.836909
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -205.016166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.016166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.016166 (E_RNA)
where:
Base-Base interactions energy: -144.677
where: short stacking energy: -50.648
Base-Backbone interact. energy: -0.684
local terms energy: -59.654839
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -95.882882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.882882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.882882 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.413
local terms energy: -60.752348
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -160.944874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.944874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.944874 (E_RNA)
where:
Base-Base interactions energy: -103.834
where: short stacking energy: -45.257
Base-Backbone interact. energy: -0.014
local terms energy: -57.096901
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -91.761186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.761186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.761186 (E_RNA)
where:
Base-Base interactions energy: -36.422
where: short stacking energy: -30.429
Base-Backbone interact. energy: 0.762
local terms energy: -56.100827
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -88.247539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.247539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.247539 (E_RNA)
where:
Base-Base interactions energy: -34.733
where: short stacking energy: -24.305
Base-Backbone interact. energy: -0.008
local terms energy: -53.506504
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -260.764923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.764923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.764923 (E_RNA)
where:
Base-Base interactions energy: -182.613
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.201
local terms energy: -77.950507
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -232.876228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.876228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.876228 (E_RNA)
where:
Base-Base interactions energy: -158.055
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.099
local terms energy: -74.722065
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -15.365
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: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -201.339183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.339183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.339183 (E_RNA)
where:
Base-Base interactions energy: -132.376
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.024
local terms energy: -68.939422
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -193.410358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.410358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.410358 (E_RNA)
where:
Base-Base interactions energy: -104.937
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.109
local terms energy: -88.365043
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -213.753266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.753266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.753266 (E_RNA)
where:
Base-Base interactions energy: -148.399
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.270
local terms energy: -65.084132
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -195.535084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.535084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.535084 (E_RNA)
where:
Base-Base interactions energy: -127.898
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.013
local terms energy: -67.623867
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -181.913474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.913474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.913474 (E_RNA)
where:
Base-Base interactions energy: -118.716
where: short stacking energy: -51.271
Base-Backbone interact. energy: -0.142
local terms energy: -63.055267
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -82.549912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549912 (E_RNA)
where:
Base-Base interactions energy: -32.320
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.228
local terms energy: -50.002025
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -89.837267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.837267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.837267 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.006
local terms energy: -56.311406
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -92.237045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.237045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.237045 (E_RNA)
where:
Base-Base interactions energy: -39.268
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.016
local terms energy: -52.953386
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -257.771252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.771252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.771252 (E_RNA)
where:
Base-Base interactions energy: -176.127
where: short stacking energy: -71.280
Base-Backbone interact. energy: -0.160
local terms energy: -81.484165
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -13.007
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: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -213.513972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.513972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.513972 (E_RNA)
where:
Base-Base interactions energy: -133.627
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.001
local terms energy: -79.886018
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -237.971186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.971186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.971186 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.999
local terms energy: -83.198629
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -236.462999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.462999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.462999 (E_RNA)
where:
Base-Base interactions energy: -171.103
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.880
local terms energy: -64.480444
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -179.145064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.145064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.145064 (E_RNA)
where:
Base-Base interactions energy: -113.977
where: short stacking energy: -60.644
Base-Backbone interact. energy: -0.010
local terms energy: -65.158277
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -172.311829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.311829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.311829 (E_RNA)
where:
Base-Base interactions energy: -103.268
where: short stacking energy: -48.055
Base-Backbone interact. energy: -0.107
local terms energy: -68.936596
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -163.967818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.967818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.967818 (E_RNA)
where:
Base-Base interactions energy: -100.691
where: short stacking energy: -48.144
Base-Backbone interact. energy: -0.097
local terms energy: -63.179307
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -4.461
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: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -103.014203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.014203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.014203 (E_RNA)
where:
Base-Base interactions energy: -37.667
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.100
local terms energy: -65.248123
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -90.350436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.350436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.350436 (E_RNA)
where:
Base-Base interactions energy: -29.969
where: short stacking energy: -28.253
Base-Backbone interact. energy: -0.134
local terms energy: -60.246532
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.570
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: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -86.823481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.823481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.823481 (E_RNA)
where:
Base-Base interactions energy: -29.362
where: short stacking energy: -29.362
Base-Backbone interact. energy: -0.285
local terms energy: -57.175947
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -1.712
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -222.608974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.608974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.608974 (E_RNA)
where:
Base-Base interactions energy: -146.374
where: short stacking energy: -71.318
Base-Backbone interact. energy: -0.018
local terms energy: -76.217271
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -19.088
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: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -249.400414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.400414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.400414 (E_RNA)
where:
Base-Base interactions energy: -170.834
where: short stacking energy: -69.406
Base-Backbone interact. energy: 0.697
local terms energy: -79.263936
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -230.557776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.557776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.557776 (E_RNA)
where:
Base-Base interactions energy: -153.996
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.272
local terms energy: -76.290026
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -225.049356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.049356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.049356 (E_RNA)
where:
Base-Base interactions energy: -160.421
where: short stacking energy: -57.511
Base-Backbone interact. energy: -0.651
local terms energy: -63.977607
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -169.963266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.963266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.963266 (E_RNA)
where:
Base-Base interactions energy: -108.656
where: short stacking energy: -47.513
Base-Backbone interact. energy: -0.266
local terms energy: -61.041167
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -185.507646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.507646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.507646 (E_RNA)
where:
Base-Base interactions energy: -113.450
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.654
local terms energy: -71.404180
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -173.402206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.402206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.402206 (E_RNA)
where:
Base-Base interactions energy: -104.370
where: short stacking energy: -52.430
Base-Backbone interact. energy: -0.111
local terms energy: -68.920824
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -12.509
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -84.589633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.589633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.589633 (E_RNA)
where:
Base-Base interactions energy: -26.778
where: short stacking energy: -26.778
Base-Backbone interact. energy: 0.148
local terms energy: -57.959649
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -89.577281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.577281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.577281 (E_RNA)
where:
Base-Base interactions energy: -39.414
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.019
local terms energy: -50.144781
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -87.183591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.183591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.183591 (E_RNA)
where:
Base-Base interactions energy: -34.466
where: short stacking energy: -34.466
Base-Backbone interact. energy: 0.022
local terms energy: -52.739768
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -222.504141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.504141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.504141 (E_RNA)
where:
Base-Base interactions energy: -138.336
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.007
local terms energy: -84.160926
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -254.280549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.280549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.280549 (E_RNA)
where:
Base-Base interactions energy: -169.721
where: short stacking energy: -69.741
Base-Backbone interact. energy: -0.457
local terms energy: -84.102743
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -235.148581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.148581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.148581 (E_RNA)
where:
Base-Base interactions energy: -161.112
where: short stacking energy: -68.772
Base-Backbone interact. energy: 0.099
local terms energy: -74.136329
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -233.928941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.928941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.928941 (E_RNA)
where:
Base-Base interactions energy: -165.599
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.369
local terms energy: -67.960679
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -170.964775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.964775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.964775 (E_RNA)
where:
Base-Base interactions energy: -104.912
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.300
local terms energy: -65.752765
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -169.982268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.982268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.982268 (E_RNA)
where:
Base-Base interactions energy: -104.244
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.152
local terms energy: -65.585922
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.963
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: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -179.840373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.840373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.840373 (E_RNA)
where:
Base-Base interactions energy: -119.186
where: short stacking energy: -45.681
Base-Backbone interact. energy: -0.514
local terms energy: -60.139768
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.436
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: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -89.077482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.077482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.077482 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -30.112
Base-Backbone interact. energy: -0.366
local terms energy: -52.110236
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -96.181389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181389 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -26.279
Base-Backbone interact. energy: 0.503
local terms energy: -63.112326
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -86.648767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.648767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.648767 (E_RNA)
where:
Base-Base interactions energy: -28.121
where: short stacking energy: -27.246
Base-Backbone interact. energy: 0.823
local terms energy: -59.350189
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -249.014190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.014190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.014190 (E_RNA)
where:
Base-Base interactions energy: -170.475
where: short stacking energy: -73.039
Base-Backbone interact. energy: -0.221
local terms energy: -78.318061
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -215.798623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.798623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.798623 (E_RNA)
where:
Base-Base interactions energy: -144.434
where: short stacking energy: -58.285
Base-Backbone interact. energy: -1.353
local terms energy: -70.012381
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -12.903
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: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -244.886149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.886149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.886149 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.471
local terms energy: -77.271513
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -225.435472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.435472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.435472 (E_RNA)
where:
Base-Base interactions energy: -161.804
where: short stacking energy: -58.319
Base-Backbone interact. energy: -0.429
local terms energy: -63.202800
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -183.636241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.636241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.636241 (E_RNA)
where:
Base-Base interactions energy: -113.221
where: short stacking energy: -50.376
Base-Backbone interact. energy: 0.817
local terms energy: -71.232004
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -11.621
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: 358
Temperature: 1.150000
Total energy: -162.463435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.463435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.463435 (E_RNA)
where:
Base-Base interactions energy: -92.465
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.247
local terms energy: -69.751285
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -167.749733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.749733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.749733 (E_RNA)
where:
Base-Base interactions energy: -105.458
where: short stacking energy: -48.702
Base-Backbone interact. energy: -0.059
local terms energy: -62.232791
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -11.274
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: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -86.633471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.633471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.633471 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -28.227
Base-Backbone interact. energy: -0.015
local terms energy: -50.147871
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -5.316
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: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -88.117094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.117094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.117094 (E_RNA)
where:
Base-Base interactions energy: -30.714
where: short stacking energy: -22.366
Base-Backbone interact. energy: -0.134
local terms energy: -57.269171
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -88.057843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.057843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.057843 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.167
local terms energy: -55.156921
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -249.891051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.891051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.891051 (E_RNA)
where:
Base-Base interactions energy: -172.471
where: short stacking energy: -76.910
Base-Backbone interact. energy: -0.459
local terms energy: -76.960118
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -249.697983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.697983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.697983 (E_RNA)
where:
Base-Base interactions energy: -170.612
where: short stacking energy: -75.199
Base-Backbone interact. energy: -0.880
local terms energy: -78.206077
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -205.989394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.989394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.989394 (E_RNA)
where:
Base-Base interactions energy: -133.410
where: short stacking energy: -68.851
Base-Backbone interact. energy: -0.038
local terms energy: -72.541204
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -239.253870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.253870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.253870 (E_RNA)
where:
Base-Base interactions energy: -165.679
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.283
local terms energy: -73.291675
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -16.007
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: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -174.062586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.062586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.062586 (E_RNA)
where:
Base-Base interactions energy: -107.971
where: short stacking energy: -40.217
Base-Backbone interact. energy: -0.436
local terms energy: -65.655789
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -180.960565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.960565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.960565 (E_RNA)
where:
Base-Base interactions energy: -112.761
where: short stacking energy: -54.922
Base-Backbone interact. energy: -0.137
local terms energy: -68.062437
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -13.073
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: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -144.245678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.245678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.245678 (E_RNA)
where:
Base-Base interactions energy: -78.053
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.485
local terms energy: -65.707895
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.797
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: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -92.179838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.179838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.179838 (E_RNA)
where:
Base-Base interactions energy: -32.302
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.550
local terms energy: -59.327841
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -11.010
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: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -84.654490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.654490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.654490 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -30.365
Base-Backbone interact. energy: 0.797
local terms energy: -49.492830
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -3.650
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: 359
Temperature: 1.350000
Total energy: -76.032869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.032869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.032869 (E_RNA)
where:
Base-Base interactions energy: -27.148
where: short stacking energy: -27.148
Base-Backbone interact. energy: 0.270
local terms energy: -49.154791
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -8.812
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -252.389211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.389211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.389211 (E_RNA)
where:
Base-Base interactions energy: -171.918
where: short stacking energy: -70.281
Base-Backbone interact. energy: -0.952
local terms energy: -79.519443
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -243.187952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.187952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.187952 (E_RNA)
where:
Base-Base interactions energy: -155.904
where: short stacking energy: -70.814
Base-Backbone interact. energy: -1.051
local terms energy: -86.233493
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -23.862
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: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -232.394556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.394556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.394556 (E_RNA)
where:
Base-Base interactions energy: -165.060
where: short stacking energy: -59.040
Base-Backbone interact. energy: 0.351
local terms energy: -67.685675
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -11.341
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -195.888917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.888917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.888917 (E_RNA)
where:
Base-Base interactions energy: -124.133
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.057
local terms energy: -71.698637
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -180.446181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.446181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.446181 (E_RNA)
where:
Base-Base interactions energy: -111.990
where: short stacking energy: -40.155
Base-Backbone interact. energy: -0.025
local terms energy: -68.431473
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -161.124999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.124999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.124999 (E_RNA)
where:
Base-Base interactions energy: -90.898
where: short stacking energy: -46.043
Base-Backbone interact. energy: 0.817
local terms energy: -71.044000
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -145.872117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.872117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.872117 (E_RNA)
where:
Base-Base interactions energy: -79.445
where: short stacking energy: -41.945
Base-Backbone interact. energy: -0.105
local terms energy: -66.322179
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -111.058014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.058014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.058014 (E_RNA)
where:
Base-Base interactions energy: -63.877
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.535
local terms energy: -46.646918
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: 1.805
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -100.076305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.076305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.076305 (E_RNA)
where:
Base-Base interactions energy: -43.258
where: short stacking energy: -30.600
Base-Backbone interact. energy: -0.395
local terms energy: -56.423395
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -6.031
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: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -80.209135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.209135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.209135 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.151
local terms energy: -51.896109
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -253.860842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.860842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.860842 (E_RNA)
where:
Base-Base interactions energy: -172.844
where: short stacking energy: -72.802
Base-Backbone interact. energy: -0.255
local terms energy: -80.762453
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -239.545196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.545196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.545196 (E_RNA)
where:
Base-Base interactions energy: -164.206
where: short stacking energy: -72.231
Base-Backbone interact. energy: -0.350
local terms energy: -74.989455
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -237.510428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.510428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.510428 (E_RNA)
where:
Base-Base interactions energy: -169.121
where: short stacking energy: -64.719
Base-Backbone interact. energy: -1.629
local terms energy: -66.759828
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -197.485326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.485326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.485326 (E_RNA)
where:
Base-Base interactions energy: -130.358
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.063
local terms energy: -67.064420
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -179.987968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.987968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.987968 (E_RNA)
where:
Base-Base interactions energy: -108.047
where: short stacking energy: -54.079
Base-Backbone interact. energy: -0.079
local terms energy: -71.862656
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -170.365554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.365554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.365554 (E_RNA)
where:
Base-Base interactions energy: -104.788
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.263
local terms energy: -65.314544
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -138.141891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.141891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.141891 (E_RNA)
where:
Base-Base interactions energy: -83.112
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.188
local terms energy: -54.842367
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -10.558
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -9.290
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: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -90.276785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.276785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.276785 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -34.350
Base-Backbone interact. energy: -0.650
local terms energy: -54.060385
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -91.110967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.110967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.110967 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -25.652
Base-Backbone interact. energy: -0.531
local terms energy: -49.879636
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -2.711
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: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -79.855573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.855573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.855573 (E_RNA)
where:
Base-Base interactions energy: -19.897
where: short stacking energy: -18.770
Base-Backbone interact. energy: -0.255
local terms energy: -59.703875
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -246.824006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.824006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.824006 (E_RNA)
where:
Base-Base interactions energy: -173.689
where: short stacking energy: -75.630
Base-Backbone interact. energy: -0.338
local terms energy: -72.796365
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -252.601101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.601101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.601101 (E_RNA)
where:
Base-Base interactions energy: -173.448
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.177
local terms energy: -78.975865
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -237.508973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.508973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.508973 (E_RNA)
where:
Base-Base interactions energy: -165.038
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.100
local terms energy: -72.371389
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -203.860133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.860133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.860133 (E_RNA)
where:
Base-Base interactions energy: -137.592
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.808
local terms energy: -65.459893
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -12.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -186.265952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.265952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.265952 (E_RNA)
where:
Base-Base interactions energy: -106.173
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.606
local terms energy: -79.487730
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -8.786
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: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -177.957654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.957654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.957654 (E_RNA)
where:
Base-Base interactions energy: -112.393
where: short stacking energy: -46.643
Base-Backbone interact. energy: 0.338
local terms energy: -65.901981
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -103.016684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.016684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.016684 (E_RNA)
where:
Base-Base interactions energy: -48.279
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.023
local terms energy: -54.714500
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -3.301
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: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -91.961892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.961892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.961892 (E_RNA)
where:
Base-Base interactions energy: -33.793
where: short stacking energy: -33.793
Base-Backbone interact. energy: -0.001
local terms energy: -58.167586
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -4.454
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: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -90.194167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.194167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.194167 (E_RNA)
where:
Base-Base interactions energy: -28.448
where: short stacking energy: -27.544
Base-Backbone interact. energy: -0.113
local terms energy: -61.633052
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -73.746037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.746037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.746037 (E_RNA)
where:
Base-Base interactions energy: -24.293
where: short stacking energy: -24.293
Base-Backbone interact. energy: -0.132
local terms energy: -49.320269
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -252.510741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.510741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.510741 (E_RNA)
where:
Base-Base interactions energy: -178.286
where: short stacking energy: -72.373
Base-Backbone interact. energy: 3.237
local terms energy: -77.461538
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -18.867
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: 363
Temperature: 0.950000
Total energy: -241.521271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.521271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.521271 (E_RNA)
where:
Base-Base interactions energy: -166.503
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.447
local terms energy: -74.570863
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -247.930539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.930539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.930539 (E_RNA)
where:
Base-Base interactions energy: -168.011
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.036
local terms energy: -79.883528
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -12.292
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: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -189.492246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.492246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.492246 (E_RNA)
where:
Base-Base interactions energy: -120.256
where: short stacking energy: -48.986
Base-Backbone interact. energy: -0.108
local terms energy: -69.127504
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -198.227582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.227582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.227582 (E_RNA)
where:
Base-Base interactions energy: -118.448
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.190
local terms energy: -79.589378
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -176.061138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061138 (E_RNA)
where:
Base-Base interactions energy: -100.559
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.643
local terms energy: -74.859604
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -10.730
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: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -101.848898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.848898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.848898 (E_RNA)
where:
Base-Base interactions energy: -53.807
where: short stacking energy: -36.912
Base-Backbone interact. energy: 1.442
local terms energy: -49.484153
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: 0.179
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -93.341066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.341066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.341066 (E_RNA)
where:
Base-Base interactions energy: -33.553
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.827
local terms energy: -58.961577
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -3.374
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: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -84.393341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.393341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.393341 (E_RNA)
where:
Base-Base interactions energy: -29.570
where: short stacking energy: -29.024
Base-Backbone interact. energy: -0.210
local terms energy: -54.613273
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: 1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -74.132069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.132069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.132069 (E_RNA)
where:
Base-Base interactions energy: -39.494
where: short stacking energy: -25.616
Base-Backbone interact. energy: -1.140
local terms energy: -33.497771
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: 5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -237.772594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.772594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.772594 (E_RNA)
where:
Base-Base interactions energy: -159.957
where: short stacking energy: -76.712
Base-Backbone interact. energy: 0.324
local terms energy: -78.139884
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -242.674148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.674148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.674148 (E_RNA)
where:
Base-Base interactions energy: -172.938
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.401
local terms energy: -69.335303
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -251.710154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.710154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.710154 (E_RNA)
where:
Base-Base interactions energy: -176.200
where: short stacking energy: -59.486
Base-Backbone interact. energy: 0.583
local terms energy: -76.093041
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -200.105617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.105617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.105617 (E_RNA)
where:
Base-Base interactions energy: -126.316
where: short stacking energy: -55.815
Base-Backbone interact. energy: -0.012
local terms energy: -73.777734
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -182.993868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.993868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.993868 (E_RNA)
where:
Base-Base interactions energy: -111.646
where: short stacking energy: -68.450
Base-Backbone interact. energy: -0.422
local terms energy: -70.926134
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -187.517948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.517948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.517948 (E_RNA)
where:
Base-Base interactions energy: -114.299
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.012
local terms energy: -73.207113
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -96.860087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.860087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.860087 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -23.170
Base-Backbone interact. energy: 1.126
local terms energy: -65.949707
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -6.232
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: 364
Temperature: 1.250000
Total energy: -104.699941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.699941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.699941 (E_RNA)
where:
Base-Base interactions energy: -58.133
where: short stacking energy: -23.656
Base-Backbone interact. energy: -0.543
local terms energy: -46.023472
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -2.742
tors. eta vs tors. theta energy: -6.392
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: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -88.507796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.507796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.507796 (E_RNA)
where:
Base-Base interactions energy: -32.095
where: short stacking energy: -28.632
Base-Backbone interact. energy: -0.207
local terms energy: -56.205594
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -88.956286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956286 (E_RNA)
where:
Base-Base interactions energy: -40.928
where: short stacking energy: -26.493
Base-Backbone interact. energy: -0.382
local terms energy: -47.645888
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -8.107
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: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -241.698123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.698123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.698123 (E_RNA)
where:
Base-Base interactions energy: -160.239
where: short stacking energy: -75.401
Base-Backbone interact. energy: -0.514
local terms energy: -80.945887
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -252.408222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.408222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.408222 (E_RNA)
where:
Base-Base interactions energy: -173.393
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.088
local terms energy: -78.927459
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -10.755
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: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -232.916611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.916611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.916611 (E_RNA)
where:
Base-Base interactions energy: -156.374
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.163
local terms energy: -76.379979
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -14.847
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: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -197.130269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.130269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.130269 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -59.925
Base-Backbone interact. energy: -0.188
local terms energy: -71.407141
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -200.725696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.725696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.725696 (E_RNA)
where:
Base-Base interactions energy: -135.288
where: short stacking energy: -51.652
Base-Backbone interact. energy: -0.014
local terms energy: -65.424200
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -110.437154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.437154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.437154 (E_RNA)
where:
Base-Base interactions energy: -60.565
where: short stacking energy: -33.280
Base-Backbone interact. energy: -0.282
local terms energy: -49.590048
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -167.303929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.303929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.303929 (E_RNA)
where:
Base-Base interactions energy: -108.335
where: short stacking energy: -47.803
Base-Backbone interact. energy: -0.759
local terms energy: -58.209537
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -101.787223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.787223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.787223 (E_RNA)
where:
Base-Base interactions energy: -50.940
where: short stacking energy: -41.517
Base-Backbone interact. energy: -0.467
local terms energy: -50.380300
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -7.724
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: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -86.552603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.552603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.552603 (E_RNA)
where:
Base-Base interactions energy: -27.442
where: short stacking energy: -27.442
Base-Backbone interact. energy: -0.070
local terms energy: -59.040448
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -6.987
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: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -81.549570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.549570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.549570 (E_RNA)
where:
Base-Base interactions energy: -33.556
where: short stacking energy: -21.681
Base-Backbone interact. energy: -0.338
local terms energy: -47.655192
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: 1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -249.037267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.037267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.037267 (E_RNA)
where:
Base-Base interactions energy: -177.187
where: short stacking energy: -74.750
Base-Backbone interact. energy: -0.264
local terms energy: -71.586526
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -257.865974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.865974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.865974 (E_RNA)
where:
Base-Base interactions energy: -180.726
where: short stacking energy: -73.204
Base-Backbone interact. energy: -0.404
local terms energy: -76.735543
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -10.814
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: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -232.119331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.119331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.119331 (E_RNA)
where:
Base-Base interactions energy: -163.131
where: short stacking energy: -54.119
Base-Backbone interact. energy: -0.470
local terms energy: -68.518622
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -174.217506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.217506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.217506 (E_RNA)
where:
Base-Base interactions energy: -112.807
where: short stacking energy: -49.124
Base-Backbone interact. energy: -0.244
local terms energy: -61.166870
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.317
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: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -139.445431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.445431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.445431 (E_RNA)
where:
Base-Base interactions energy: -75.302
where: short stacking energy: -46.242
Base-Backbone interact. energy: -0.139
local terms energy: -64.004622
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -181.052100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.052100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.052100 (E_RNA)
where:
Base-Base interactions energy: -103.970
where: short stacking energy: -57.890
Base-Backbone interact. energy: -0.001
local terms energy: -77.081192
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -139.735608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.735608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.735608 (E_RNA)
where:
Base-Base interactions energy: -81.743
where: short stacking energy: -48.834
Base-Backbone interact. energy: -0.004
local terms energy: -57.988766
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.105
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: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -163.086319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.086319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.086319 (E_RNA)
where:
Base-Base interactions energy: -98.787
where: short stacking energy: -44.479
Base-Backbone interact. energy: -0.039
local terms energy: -64.260080
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -79.009622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.009622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.009622 (E_RNA)
where:
Base-Base interactions energy: -37.526
where: short stacking energy: -36.185
Base-Backbone interact. energy: -0.184
local terms energy: -41.299687
where:
bonds (distance) C4'-P energy: -7.675
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 1.452
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: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -94.982210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.982210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.982210 (E_RNA)
where:
Base-Base interactions energy: -32.072
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.217
local terms energy: -62.693238
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -6.324
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: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -246.548673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.548673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.548673 (E_RNA)
where:
Base-Base interactions energy: -166.649
where: short stacking energy: -81.247
Base-Backbone interact. energy: -0.550
local terms energy: -79.349076
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -253.068683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.068683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.068683 (E_RNA)
where:
Base-Base interactions energy: -174.481
where: short stacking energy: -66.271
Base-Backbone interact. energy: 0.145
local terms energy: -78.732799
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -231.488642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.488642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.488642 (E_RNA)
where:
Base-Base interactions energy: -157.253
where: short stacking energy: -60.272
Base-Backbone interact. energy: -0.755
local terms energy: -73.480693
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -186.938051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.938051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.938051 (E_RNA)
where:
Base-Base interactions energy: -122.825
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.419
local terms energy: -63.693535
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -113.915644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.915644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.915644 (E_RNA)
where:
Base-Base interactions energy: -43.407
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.609
local terms energy: -69.899875
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -178.216342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.216342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.216342 (E_RNA)
where:
Base-Base interactions energy: -108.069
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.610
local terms energy: -69.537514
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -160.301580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.301580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.301580 (E_RNA)
where:
Base-Base interactions energy: -99.939
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.405
local terms energy: -59.957410
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -104.955910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.955910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.955910 (E_RNA)
where:
Base-Base interactions energy: -52.456
where: short stacking energy: -42.114
Base-Backbone interact. energy: -0.172
local terms energy: -52.328779
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -149.121677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.121677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.121677 (E_RNA)
where:
Base-Base interactions energy: -93.230
where: short stacking energy: -43.103
Base-Backbone interact. energy: -0.031
local terms energy: -55.860089
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -84.581995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.581995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.581995 (E_RNA)
where:
Base-Base interactions energy: -29.005
where: short stacking energy: -24.488
Base-Backbone interact. energy: -0.654
local terms energy: -54.923624
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -252.148528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.148528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.148528 (E_RNA)
where:
Base-Base interactions energy: -179.660
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.608
local terms energy: -71.880416
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -241.014742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.014742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.014742 (E_RNA)
where:
Base-Base interactions energy: -164.508
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.326
local terms energy: -76.180302
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -11.897
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: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -238.858078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.858078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.858078 (E_RNA)
where:
Base-Base interactions energy: -169.545
where: short stacking energy: -57.428
Base-Backbone interact. energy: 0.829
local terms energy: -70.141302
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -199.793408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.793408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.793408 (E_RNA)
where:
Base-Base interactions energy: -125.275
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.004
local terms energy: -74.514260
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -16.323
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: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -183.086441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.086441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.086441 (E_RNA)
where:
Base-Base interactions energy: -107.229
where: short stacking energy: -65.794
Base-Backbone interact. energy: -0.045
local terms energy: -75.812468
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -101.418392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.418392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.418392 (E_RNA)
where:
Base-Base interactions energy: -51.141
where: short stacking energy: -27.872
Base-Backbone interact. energy: 3.407
local terms energy: -53.684576
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -171.122629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.122629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.122629 (E_RNA)
where:
Base-Base interactions energy: -102.196
where: short stacking energy: -42.943
Base-Backbone interact. energy: -0.171
local terms energy: -68.754993
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -92.190291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.190291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.190291 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -37.949
Base-Backbone interact. energy: -0.339
local terms energy: -50.715377
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -84.845572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.845572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.845572 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -37.939
Base-Backbone interact. energy: 1.221
local terms energy: -48.127706
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -87.442835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.442835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.442835 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.159
local terms energy: -51.054637
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -6.219
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: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -257.188634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.188634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.188634 (E_RNA)
where:
Base-Base interactions energy: -181.149
where: short stacking energy: -79.514
Base-Backbone interact. energy: 0.688
local terms energy: -76.727190
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -233.762758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.762758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.762758 (E_RNA)
where:
Base-Base interactions energy: -158.572
where: short stacking energy: -66.959
Base-Backbone interact. energy: -0.170
local terms energy: -75.021111
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -235.583649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.583649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.583649 (E_RNA)
where:
Base-Base interactions energy: -164.073
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.228
local terms energy: -71.282752
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -200.222628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.222628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.222628 (E_RNA)
where:
Base-Base interactions energy: -132.253
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.095
local terms energy: -67.874280
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -196.967620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.967620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.967620 (E_RNA)
where:
Base-Base interactions energy: -122.223
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.001
local terms energy: -74.743561
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -177.949081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.949081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.949081 (E_RNA)
where:
Base-Base interactions energy: -112.720
where: short stacking energy: -62.500
Base-Backbone interact. energy: -0.009
local terms energy: -65.220642
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -3.412
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -94.431220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.431220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.431220 (E_RNA)
where:
Base-Base interactions energy: -36.707
where: short stacking energy: -27.423
Base-Backbone interact. energy: 0.056
local terms energy: -57.779885
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -92.946190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.946190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.946190 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.349
local terms energy: -54.889879
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -7.687
flat angles P-C4'-P energy: -10.977
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: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -86.910541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.910541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.910541 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -32.008
Base-Backbone interact. energy: -0.175
local terms energy: -54.727569
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -85.622346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.622346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.622346 (E_RNA)
where:
Base-Base interactions energy: -29.411
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.981
local terms energy: -55.229701
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -248.178985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.178985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.178985 (E_RNA)
where:
Base-Base interactions energy: -175.034
where: short stacking energy: -78.774
Base-Backbone interact. energy: 0.847
local terms energy: -73.992056
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -18.867
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: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -240.967543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.967543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.967543 (E_RNA)
where:
Base-Base interactions energy: -162.292
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.307
local terms energy: -78.368640
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -19.164
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: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -228.485209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.485209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.485209 (E_RNA)
where:
Base-Base interactions energy: -164.155
where: short stacking energy: -61.545
Base-Backbone interact. energy: -1.377
local terms energy: -62.953109
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.022
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: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -197.813369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.813369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.813369 (E_RNA)
where:
Base-Base interactions energy: -130.532
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.290
local terms energy: -66.991193
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -11.219
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: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -187.149228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.149228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.149228 (E_RNA)
where:
Base-Base interactions energy: -105.604
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.004
local terms energy: -81.541109
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -151.139156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.139156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.139156 (E_RNA)
where:
Base-Base interactions energy: -87.125
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.226
local terms energy: -63.787749
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -6.349
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: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -100.942412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.942412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.942412 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.104
local terms energy: -62.374068
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -97.224286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.224286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.224286 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -32.433
Base-Backbone interact. energy: -0.309
local terms energy: -61.720964
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -110.555478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.555478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.555478 (E_RNA)
where:
Base-Base interactions energy: -64.757
where: short stacking energy: -31.802
Base-Backbone interact. energy: -0.147
local terms energy: -45.650935
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -92.932904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.932904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.932904 (E_RNA)
where:
Base-Base interactions energy: -37.519
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.118
local terms energy: -55.296174
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -10.562
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: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -256.232647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.232647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.232647 (E_RNA)
where:
Base-Base interactions energy: -174.271
where: short stacking energy: -64.491
Base-Backbone interact. energy: -0.327
local terms energy: -81.634617
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -240.457263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.457263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.457263 (E_RNA)
where:
Base-Base interactions energy: -167.384
where: short stacking energy: -65.409
Base-Backbone interact. energy: -0.338
local terms energy: -72.735570
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -246.633702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.633702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.633702 (E_RNA)
where:
Base-Base interactions energy: -169.396
where: short stacking energy: -76.189
Base-Backbone interact. energy: -0.021
local terms energy: -77.216706
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -210.570007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.570007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.570007 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -72.641
Base-Backbone interact. energy: 0.519
local terms energy: -73.518384
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -4.175
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: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -189.490418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.490418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.490418 (E_RNA)
where:
Base-Base interactions energy: -119.246
where: short stacking energy: -66.929
Base-Backbone interact. energy: -0.002
local terms energy: -70.242706
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -179.276909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.276909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.276909 (E_RNA)
where:
Base-Base interactions energy: -109.811
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.077
local terms energy: -69.388906
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -14.569
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: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -91.336397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.336397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.336397 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -36.398
Base-Backbone interact. energy: -0.165
local terms energy: -53.955351
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -109.018868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.018868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.018868 (E_RNA)
where:
Base-Base interactions energy: -54.165
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.107
local terms energy: -54.746140
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -78.035324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.035324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.035324 (E_RNA)
where:
Base-Base interactions energy: -32.174
where: short stacking energy: -23.657
Base-Backbone interact. energy: -0.677
local terms energy: -45.184051
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: 2.823
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: 371
Temperature: 1.350000
Total energy: -82.023093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.023093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.023093 (E_RNA)
where:
Base-Base interactions energy: -31.209
where: short stacking energy: -19.473
Base-Backbone interact. energy: 1.516
local terms energy: -52.330482
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -246.186456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.186456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.186456 (E_RNA)
where:
Base-Base interactions energy: -171.420
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.253
local terms energy: -74.512825
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -12.169
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: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -249.846205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.846205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.846205 (E_RNA)
where:
Base-Base interactions energy: -170.790
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.017
local terms energy: -79.038997
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -245.241178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.241178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.241178 (E_RNA)
where:
Base-Base interactions energy: -162.151
where: short stacking energy: -70.385
Base-Backbone interact. energy: -0.078
local terms energy: -83.012609
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -11.841
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: 372
Temperature: 1.050000
Total energy: -208.550888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.550888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.550888 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -66.421
Base-Backbone interact. energy: -0.022
local terms energy: -72.678112
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -186.030687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.030687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.030687 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -56.666
Base-Backbone interact. energy: -0.744
local terms energy: -73.061130
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -11.826
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: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -174.032227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.032227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.032227 (E_RNA)
where:
Base-Base interactions energy: -110.077
where: short stacking energy: -50.879
Base-Backbone interact. energy: 0.085
local terms energy: -64.040114
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -10.649
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: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -101.074363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.074363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.074363 (E_RNA)
where:
Base-Base interactions energy: -37.895
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.591
local terms energy: -62.588618
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -106.698219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.698219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.698219 (E_RNA)
where:
Base-Base interactions energy: -63.445
where: short stacking energy: -32.386
Base-Backbone interact. energy: 0.507
local terms energy: -43.760715
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -92.744235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.744235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.744235 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.042
local terms energy: -61.779557
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -91.651918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.651918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.651918 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.029
local terms energy: -57.079573
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -246.202330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.202330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.202330 (E_RNA)
where:
Base-Base interactions energy: -172.141
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.420
local terms energy: -73.641822
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -246.074950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.074950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.074950 (E_RNA)
where:
Base-Base interactions energy: -170.254
where: short stacking energy: -59.589
Base-Backbone interact. energy: 0.410
local terms energy: -76.231258
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.150
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: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -247.893041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.893041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.893041 (E_RNA)
where:
Base-Base interactions energy: -172.691
where: short stacking energy: -57.694
Base-Backbone interact. energy: 0.015
local terms energy: -75.217126
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -195.264000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.264000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.264000 (E_RNA)
where:
Base-Base interactions energy: -120.689
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.052
local terms energy: -74.523252
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -186.875220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.875220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.875220 (E_RNA)
where:
Base-Base interactions energy: -120.893
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.012
local terms energy: -65.970296
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -7.149
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: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -213.676655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.676655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.676655 (E_RNA)
where:
Base-Base interactions energy: -140.564
where: short stacking energy: -67.360
Base-Backbone interact. energy: -0.031
local terms energy: -73.081131
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -88.319233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.319233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.319233 (E_RNA)
where:
Base-Base interactions energy: -28.325
where: short stacking energy: -23.591
Base-Backbone interact. energy: 0.465
local terms energy: -60.458844
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -93.120718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.120718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.120718 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -36.503
Base-Backbone interact. energy: -0.108
local terms energy: -56.510553
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -87.989147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.989147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.989147 (E_RNA)
where:
Base-Base interactions energy: -28.944
where: short stacking energy: -28.944
Base-Backbone interact. energy: -0.112
local terms energy: -58.932575
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -11.346
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: 373
Temperature: 1.350000
Total energy: -82.882163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.882163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.882163 (E_RNA)
where:
Base-Base interactions energy: -25.948
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.366
local terms energy: -56.568381
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -8.008
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: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -261.105820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.105820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.105820 (E_RNA)
where:
Base-Base interactions energy: -183.874
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.311
local terms energy: -76.921185
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -258.049953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.049953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.049953 (E_RNA)
where:
Base-Base interactions energy: -189.297
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.240
local terms energy: -68.512354
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -244.802187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.802187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.802187 (E_RNA)
where:
Base-Base interactions energy: -171.228
where: short stacking energy: -72.285
Base-Backbone interact. energy: 0.067
local terms energy: -73.641127
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -197.147206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.147206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.147206 (E_RNA)
where:
Base-Base interactions energy: -122.317
where: short stacking energy: -52.449
Base-Backbone interact. energy: -0.286
local terms energy: -74.544280
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -8.648
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: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -189.891116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.891116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.891116 (E_RNA)
where:
Base-Base interactions energy: -116.854
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.670
local terms energy: -72.367157
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -15.801
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: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -186.766506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.766506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.766506 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -63.878
Base-Backbone interact. energy: -0.021
local terms energy: -68.794673
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -107.136676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.136676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.136676 (E_RNA)
where:
Base-Base interactions energy: -49.124
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.274
local terms energy: -57.738391
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -7.140
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: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -97.574276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.574276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.574276 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -40.528
Base-Backbone interact. energy: -0.257
local terms energy: -56.789342
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -12.383
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: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -95.590260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.590260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.590260 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -36.040
Base-Backbone interact. energy: -0.070
local terms energy: -57.075082
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -4.577
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: 374
Temperature: 1.350000
Total energy: -85.786067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.786067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.786067 (E_RNA)
where:
Base-Base interactions energy: -30.040
where: short stacking energy: -28.264
Base-Backbone interact. energy: -0.438
local terms energy: -55.308345
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -257.203826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.203826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.203826 (E_RNA)
where:
Base-Base interactions energy: -176.971
where: short stacking energy: -81.076
Base-Backbone interact. energy: -0.712
local terms energy: -79.521648
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -237.130680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.130680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.130680 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -70.213
Base-Backbone interact. energy: -0.259
local terms energy: -77.949232
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -246.113285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.113285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.113285 (E_RNA)
where:
Base-Base interactions energy: -181.526
where: short stacking energy: -68.337
Base-Backbone interact. energy: 1.541
local terms energy: -66.128204
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -194.046151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.046151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.046151 (E_RNA)
where:
Base-Base interactions energy: -119.257
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.331
local terms energy: -74.458440
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -7.580
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: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -179.613714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.613714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.613714 (E_RNA)
where:
Base-Base interactions energy: -113.666
where: short stacking energy: -52.700
Base-Backbone interact. energy: -0.144
local terms energy: -65.803664
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -6.610
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -12.208
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: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -110.447142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.447142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.447142 (E_RNA)
where:
Base-Base interactions energy: -52.569
where: short stacking energy: -37.711
Base-Backbone interact. energy: -0.711
local terms energy: -57.166648
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -187.981472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.981472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.981472 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.065
local terms energy: -63.064539
where:
bonds (distance) C4'-P energy: -9.314
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -87.498105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.498105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.498105 (E_RNA)
where:
Base-Base interactions energy: -36.260
where: short stacking energy: -36.260
Base-Backbone interact. energy: -0.151
local terms energy: -51.087138
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -12.030
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: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -95.610831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.610831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.610831 (E_RNA)
where:
Base-Base interactions energy: -39.354
where: short stacking energy: -32.809
Base-Backbone interact. energy: -1.322
local terms energy: -54.934249
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -90.539580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.539580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.539580 (E_RNA)
where:
Base-Base interactions energy: -43.212
where: short stacking energy: -26.531
Base-Backbone interact. energy: -0.331
local terms energy: -46.997012
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -255.913407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.913407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.913407 (E_RNA)
where:
Base-Base interactions energy: -175.789
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.060
local terms energy: -80.063802
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -246.949033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.949033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.949033 (E_RNA)
where:
Base-Base interactions energy: -166.561
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.186
local terms energy: -80.201912
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -10.241
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -243.037226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.037226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.037226 (E_RNA)
where:
Base-Base interactions energy: -171.190
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.399
local terms energy: -71.447471
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -13.307
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: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -183.324202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.324202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.324202 (E_RNA)
where:
Base-Base interactions energy: -110.707
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.729
local terms energy: -71.888367
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -179.326292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.326292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.326292 (E_RNA)
where:
Base-Base interactions energy: -113.767
where: short stacking energy: -54.940
Base-Backbone interact. energy: -0.904
local terms energy: -64.654917
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -103.089692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.089692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.089692 (E_RNA)
where:
Base-Base interactions energy: -45.430
where: short stacking energy: -45.430
Base-Backbone interact. energy: -0.164
local terms energy: -57.496308
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -176.450794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.450794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.450794 (E_RNA)
where:
Base-Base interactions energy: -113.497
where: short stacking energy: -43.355
Base-Backbone interact. energy: -0.273
local terms energy: -62.681273
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -98.404359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.404359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.404359 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -32.155
Base-Backbone interact. energy: -0.253
local terms energy: -54.681227
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -84.856534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.856534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.856534 (E_RNA)
where:
Base-Base interactions energy: -40.718
where: short stacking energy: -15.204
Base-Backbone interact. energy: -0.401
local terms energy: -43.737534
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -6.612
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -83.797624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.797624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.797624 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -35.128
Base-Backbone interact. energy: -0.195
local terms energy: -48.474791
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -255.990484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.990484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.990484 (E_RNA)
where:
Base-Base interactions energy: -178.284
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.304
local terms energy: -77.401928
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -246.164585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.164585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.164585 (E_RNA)
where:
Base-Base interactions energy: -169.435
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.453
local terms energy: -76.276607
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -240.711127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.711127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.711127 (E_RNA)
where:
Base-Base interactions energy: -162.294
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.241
local terms energy: -78.176781
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -17.899
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: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -194.402709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.402709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.402709 (E_RNA)
where:
Base-Base interactions energy: -133.246
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.533
local terms energy: -60.623647
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.209
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: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -178.200535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.200535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.200535 (E_RNA)
where:
Base-Base interactions energy: -110.818
where: short stacking energy: -54.929
Base-Backbone interact. energy: -0.098
local terms energy: -67.284748
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -177.529830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.529830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.529830 (E_RNA)
where:
Base-Base interactions energy: -104.678
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.097
local terms energy: -72.755135
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -17.080
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: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -110.993323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.993323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.993323 (E_RNA)
where:
Base-Base interactions energy: -46.642
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.039
local terms energy: -64.311945
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -8.759
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: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -95.104177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.104177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.104177 (E_RNA)
where:
Base-Base interactions energy: -48.894
where: short stacking energy: -38.409
Base-Backbone interact. energy: -0.321
local terms energy: -45.889418
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -2.200
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -94.132297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.132297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.132297 (E_RNA)
where:
Base-Base interactions energy: -38.788
where: short stacking energy: -28.059
Base-Backbone interact. energy: 0.272
local terms energy: -55.616002
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -89.667214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.667214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.667214 (E_RNA)
where:
Base-Base interactions energy: -31.846
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.273
local terms energy: -57.548013
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -1.159
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -251.355507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.355507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.355507 (E_RNA)
where:
Base-Base interactions energy: -174.413
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.175
local terms energy: -76.767940
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -233.347811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.347811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.347811 (E_RNA)
where:
Base-Base interactions energy: -166.428
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.027
local terms energy: -66.893767
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -235.163684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.163684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.163684 (E_RNA)
where:
Base-Base interactions energy: -159.762
where: short stacking energy: -70.731
Base-Backbone interact. energy: -0.145
local terms energy: -75.256322
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -198.849605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.849605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.849605 (E_RNA)
where:
Base-Base interactions energy: -126.814
where: short stacking energy: -64.682
Base-Backbone interact. energy: -0.151
local terms energy: -71.883813
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -9.883
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -186.419843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.419843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.419843 (E_RNA)
where:
Base-Base interactions energy: -120.081
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.850
local terms energy: -65.488116
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -195.899904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.899904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.899904 (E_RNA)
where:
Base-Base interactions energy: -122.907
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.013
local terms energy: -72.979529
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -92.428097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428097 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -37.734
Base-Backbone interact. energy: -0.734
local terms energy: -53.779391
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -6.935
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -92.931495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.931495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.931495 (E_RNA)
where:
Base-Base interactions energy: -34.100
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.079
local terms energy: -58.752329
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -9.730
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: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -90.928764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.928764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.928764 (E_RNA)
where:
Base-Base interactions energy: -37.504
where: short stacking energy: -33.823
Base-Backbone interact. energy: -0.034
local terms energy: -53.391311
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -79.435530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.435530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.435530 (E_RNA)
where:
Base-Base interactions energy: -18.593
where: short stacking energy: -16.453
Base-Backbone interact. energy: -0.085
local terms energy: -60.757684
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -0.332
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: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -249.325035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.325035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.325035 (E_RNA)
where:
Base-Base interactions energy: -171.578
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.180
local terms energy: -77.566670
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -238.760317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.760317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.760317 (E_RNA)
where:
Base-Base interactions energy: -170.272
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.291
local terms energy: -68.197725
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -7.838
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: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -221.557369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.557369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.557369 (E_RNA)
where:
Base-Base interactions energy: -152.123
where: short stacking energy: -66.128
Base-Backbone interact. energy: -0.999
local terms energy: -68.436184
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -189.870059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.870059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.870059 (E_RNA)
where:
Base-Base interactions energy: -122.685
where: short stacking energy: -61.387
Base-Backbone interact. energy: -0.359
local terms energy: -66.825896
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -13.043
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: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -187.941452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.941452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.941452 (E_RNA)
where:
Base-Base interactions energy: -118.831
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.101
local terms energy: -69.009784
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -191.779746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.779746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.779746 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -58.908
Base-Backbone interact. energy: -0.368
local terms energy: -68.306631
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -91.400148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.400148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.400148 (E_RNA)
where:
Base-Base interactions energy: -32.876
where: short stacking energy: -25.681
Base-Backbone interact. energy: -0.515
local terms energy: -58.008944
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -92.365434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.365434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.365434 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -28.774
Base-Backbone interact. energy: -0.274
local terms energy: -60.758567
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -91.784684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.784684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.784684 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -36.018
Base-Backbone interact. energy: -0.588
local terms energy: -55.179092
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -88.022981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.022981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.022981 (E_RNA)
where:
Base-Base interactions energy: -37.996
where: short stacking energy: -23.978
Base-Backbone interact. energy: -1.492
local terms energy: -48.534593
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -6.046
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: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -248.035748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.035748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.035748 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -62.247
Base-Backbone interact. energy: -2.071
local terms energy: -77.866722
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -252.299669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.299669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.299669 (E_RNA)
where:
Base-Base interactions energy: -165.857
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.002
local terms energy: -86.440082
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -204.132388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.132388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.132388 (E_RNA)
where:
Base-Base interactions energy: -134.838
where: short stacking energy: -60.472
Base-Backbone interact. energy: 0.274
local terms energy: -69.568735
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -244.567224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.567224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.567224 (E_RNA)
where:
Base-Base interactions energy: -174.442
where: short stacking energy: -61.690
Base-Backbone interact. energy: 2.657
local terms energy: -72.782167
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -195.983828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.983828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.983828 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.317
local terms energy: -68.892427
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -7.436
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: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -165.402963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.402963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.402963 (E_RNA)
where:
Base-Base interactions energy: -95.677
where: short stacking energy: -44.707
Base-Backbone interact. energy: -0.912
local terms energy: -68.813973
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -101.238015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.238015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.238015 (E_RNA)
where:
Base-Base interactions energy: -37.581
where: short stacking energy: -37.581
Base-Backbone interact. energy: -0.015
local terms energy: -63.642633
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -8.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -94.254337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.254337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.254337 (E_RNA)
where:
Base-Base interactions energy: -41.349
where: short stacking energy: -33.871
Base-Backbone interact. energy: 0.198
local terms energy: -53.104172
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.109
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: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -84.712084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.712084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.712084 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -40.698
Base-Backbone interact. energy: -0.058
local terms energy: -43.955420
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -9.783
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -86.832139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.832139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.832139 (E_RNA)
where:
Base-Base interactions energy: -32.215
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.141
local terms energy: -54.475680
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -250.713642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.713642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.713642 (E_RNA)
where:
Base-Base interactions energy: -173.451
where: short stacking energy: -66.440
Base-Backbone interact. energy: -1.188
local terms energy: -76.075159
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -17.314
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: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -248.895495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.895495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.895495 (E_RNA)
where:
Base-Base interactions energy: -167.288
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.296
local terms energy: -81.310810
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -209.268544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.268544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.268544 (E_RNA)
where:
Base-Base interactions energy: -130.984
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.979
local terms energy: -77.305627
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -252.410878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.410878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.410878 (E_RNA)
where:
Base-Base interactions energy: -181.061
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.560
local terms energy: -70.789710
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -14.175
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: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -193.149625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.149625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.149625 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -60.297
Base-Backbone interact. energy: -0.508
local terms energy: -74.432599
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -195.535806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.535806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.535806 (E_RNA)
where:
Base-Base interactions energy: -120.691
where: short stacking energy: -70.387
Base-Backbone interact. energy: -0.862
local terms energy: -73.983414
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -16.486
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: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -109.181412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.181412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.181412 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -39.911
Base-Backbone interact. energy: 0.775
local terms energy: -65.137731
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -87.729900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729900 (E_RNA)
where:
Base-Base interactions energy: -30.776
where: short stacking energy: -24.809
Base-Backbone interact. energy: -0.133
local terms energy: -56.821429
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -81.517610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.517610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.517610 (E_RNA)
where:
Base-Base interactions energy: -27.221
where: short stacking energy: -26.454
Base-Backbone interact. energy: -0.187
local terms energy: -54.109939
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -86.796864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.796864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.796864 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -37.211
Base-Backbone interact. energy: -0.119
local terms energy: -49.054236
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -7.432
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -6.997
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: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -253.774379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.774379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.774379 (E_RNA)
where:
Base-Base interactions energy: -172.014
where: short stacking energy: -72.451
Base-Backbone interact. energy: -0.135
local terms energy: -81.625899
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -241.944084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.944084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.944084 (E_RNA)
where:
Base-Base interactions energy: -167.518
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.404
local terms energy: -74.021971
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -240.268647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.268647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.268647 (E_RNA)
where:
Base-Base interactions energy: -169.128
where: short stacking energy: -63.821
Base-Backbone interact. energy: 0.593
local terms energy: -71.734294
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -224.950662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.950662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.950662 (E_RNA)
where:
Base-Base interactions energy: -150.198
where: short stacking energy: -63.145
Base-Backbone interact. energy: -0.065
local terms energy: -74.687934
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -197.886701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.886701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.886701 (E_RNA)
where:
Base-Base interactions energy: -120.759
where: short stacking energy: -64.631
Base-Backbone interact. energy: -2.064
local terms energy: -75.063185
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -10.275
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: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -192.884588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.884588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.884588 (E_RNA)
where:
Base-Base interactions energy: -125.502
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.055
local terms energy: -67.327933
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -8.750
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: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -102.395809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.395809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.395809 (E_RNA)
where:
Base-Base interactions energy: -42.764
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.234
local terms energy: -59.397046
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -104.148202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.148202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.148202 (E_RNA)
where:
Base-Base interactions energy: -39.952
where: short stacking energy: -38.596
Base-Backbone interact. energy: -0.410
local terms energy: -63.786040
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.312
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: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -97.758895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.758895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.758895 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -32.198
Base-Backbone interact. energy: -0.031
local terms energy: -53.553643
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -82.534452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.534452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.534452 (E_RNA)
where:
Base-Base interactions energy: -21.304
where: short stacking energy: -19.095
Base-Backbone interact. energy: -0.046
local terms energy: -61.185189
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -2.176
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: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -259.548604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.548604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.548604 (E_RNA)
where:
Base-Base interactions energy: -183.213
where: short stacking energy: -73.113
Base-Backbone interact. energy: -0.291
local terms energy: -76.043879
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -7.088
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: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -242.776856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.776856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.776856 (E_RNA)
where:
Base-Base interactions energy: -166.769
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.266
local terms energy: -75.741510
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -229.392010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.392010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.392010 (E_RNA)
where:
Base-Base interactions energy: -163.602
where: short stacking energy: -60.478
Base-Backbone interact. energy: 0.281
local terms energy: -66.071147
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -7.007
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: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -215.794402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.794402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.794402 (E_RNA)
where:
Base-Base interactions energy: -144.564
where: short stacking energy: -65.718
Base-Backbone interact. energy: 1.356
local terms energy: -72.586506
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -10.805
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: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -190.223995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.223995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.223995 (E_RNA)
where:
Base-Base interactions energy: -119.745
where: short stacking energy: -63.801
Base-Backbone interact. energy: -0.830
local terms energy: -69.649140
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -15.485
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: 383
Temperature: 1.150000
Total energy: -170.323321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.323321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.323321 (E_RNA)
where:
Base-Base interactions energy: -113.451
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.121
local terms energy: -56.751156
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -85.235476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.235476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.235476 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -21.559
Base-Backbone interact. energy: -0.404
local terms energy: -49.450589
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -92.179387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.179387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.179387 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.086
local terms energy: -59.694527
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -90.094734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.094734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.094734 (E_RNA)
where:
Base-Base interactions energy: -28.800
where: short stacking energy: -23.595
Base-Backbone interact. energy: -1.151
local terms energy: -60.144116
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -81.227545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227545 (E_RNA)
where:
Base-Base interactions energy: -31.417
where: short stacking energy: -31.417
Base-Backbone interact. energy: -0.181
local terms energy: -49.629466
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -259.460510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.460510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.460510 (E_RNA)
where:
Base-Base interactions energy: -186.184
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.285
local terms energy: -72.991400
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -8.434
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: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -249.738125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.738125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.738125 (E_RNA)
where:
Base-Base interactions energy: -175.615
where: short stacking energy: -70.527
Base-Backbone interact. energy: -0.003
local terms energy: -74.120180
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -217.575169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.575169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.575169 (E_RNA)
where:
Base-Base interactions energy: -136.361
where: short stacking energy: -68.464
Base-Backbone interact. energy: 0.151
local terms energy: -81.365812
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -223.735541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.735541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.735541 (E_RNA)
where:
Base-Base interactions energy: -154.047
where: short stacking energy: -52.407
Base-Backbone interact. energy: -0.687
local terms energy: -69.001099
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -193.739662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.739662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.739662 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.531
local terms energy: -66.878413
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -175.570540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.570540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.570540 (E_RNA)
where:
Base-Base interactions energy: -105.718
where: short stacking energy: -52.043
Base-Backbone interact. energy: -0.080
local terms energy: -69.772253
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -106.080991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.080991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.080991 (E_RNA)
where:
Base-Base interactions energy: -43.917
where: short stacking energy: -43.917
Base-Backbone interact. energy: -0.022
local terms energy: -62.142531
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -12.508
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: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -103.067771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.067771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.067771 (E_RNA)
where:
Base-Base interactions energy: -40.708
where: short stacking energy: -38.486
Base-Backbone interact. energy: 1.620
local terms energy: -63.979675
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -97.548482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.548482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.548482 (E_RNA)
where:
Base-Base interactions energy: -40.975
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.215
local terms energy: -56.358952
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -8.872
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: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -86.906343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.906343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.906343 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -36.147
Base-Backbone interact. energy: -0.091
local terms energy: -50.668422
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -253.823241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.823241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.823241 (E_RNA)
where:
Base-Base interactions energy: -171.939
where: short stacking energy: -69.524
Base-Backbone interact. energy: -0.565
local terms energy: -81.318406
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -12.013
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: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -216.109343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.109343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.109343 (E_RNA)
where:
Base-Base interactions energy: -142.744
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.386
local terms energy: -72.979713
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -14.399
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: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -233.763349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.763349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.763349 (E_RNA)
where:
Base-Base interactions energy: -157.406
where: short stacking energy: -58.989
Base-Backbone interact. energy: 0.881
local terms energy: -77.237763
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -231.797770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.797770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.797770 (E_RNA)
where:
Base-Base interactions energy: -162.263
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.274
local terms energy: -69.261062
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -201.315300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.315300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.315300 (E_RNA)
where:
Base-Base interactions energy: -120.966
where: short stacking energy: -60.530
Base-Backbone interact. energy: -0.408
local terms energy: -79.942058
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -13.091
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: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -119.019938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.019938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.019938 (E_RNA)
where:
Base-Base interactions energy: -57.293
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.158
local terms energy: -61.569305
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -107.675826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.675826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.675826 (E_RNA)
where:
Base-Base interactions energy: -48.418
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.214
local terms energy: -59.043605
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -89.971700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.971700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.971700 (E_RNA)
where:
Base-Base interactions energy: -36.798
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.140
local terms energy: -53.033653
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -94.600377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.600377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.600377 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -31.634
Base-Backbone interact. energy: -0.023
local terms energy: -59.726059
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -73.773982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.773982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.773982 (E_RNA)
where:
Base-Base interactions energy: -26.297
where: short stacking energy: -19.564
Base-Backbone interact. energy: -1.428
local terms energy: -46.049299
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -4.138
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: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -255.681474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.681474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.681474 (E_RNA)
where:
Base-Base interactions energy: -175.200
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.405
local terms energy: -80.075665
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -218.184849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.184849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.184849 (E_RNA)
where:
Base-Base interactions energy: -145.124
where: short stacking energy: -62.240
Base-Backbone interact. energy: -0.337
local terms energy: -72.723662
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -242.742803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.742803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.742803 (E_RNA)
where:
Base-Base interactions energy: -166.973
where: short stacking energy: -58.007
Base-Backbone interact. energy: 1.336
local terms energy: -77.105536
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -230.518152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.518152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.518152 (E_RNA)
where:
Base-Base interactions energy: -166.764
where: short stacking energy: -62.957
Base-Backbone interact. energy: -0.319
local terms energy: -63.434865
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -179.043338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.043338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.043338 (E_RNA)
where:
Base-Base interactions energy: -114.105
where: short stacking energy: -51.178
Base-Backbone interact. energy: -0.836
local terms energy: -64.101626
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -10.463
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: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -108.662681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.662681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.662681 (E_RNA)
where:
Base-Base interactions energy: -60.319
where: short stacking energy: -32.211
Base-Backbone interact. energy: -1.652
local terms energy: -46.692223
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -111.643277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.643277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.643277 (E_RNA)
where:
Base-Base interactions energy: -56.774
where: short stacking energy: -33.900
Base-Backbone interact. energy: -0.019
local terms energy: -54.850374
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -91.633901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633901 (E_RNA)
where:
Base-Base interactions energy: -42.728
where: short stacking energy: -26.410
Base-Backbone interact. energy: -0.149
local terms energy: -48.756935
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -0.358
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: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -89.726411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.726411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.726411 (E_RNA)
where:
Base-Base interactions energy: -32.777
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.179
local terms energy: -56.771209
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -80.329727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.329727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.329727 (E_RNA)
where:
Base-Base interactions energy: -22.041
where: short stacking energy: -22.041
Base-Backbone interact. energy: -0.496
local terms energy: -57.793374
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: 1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -259.220704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.220704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.220704 (E_RNA)
where:
Base-Base interactions energy: -179.938
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.042
local terms energy: -79.240860
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -223.913678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.913678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.913678 (E_RNA)
where:
Base-Base interactions energy: -142.888
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.132
local terms energy: -80.893713
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -13.611
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: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -239.192512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.192512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.192512 (E_RNA)
where:
Base-Base interactions energy: -164.695
where: short stacking energy: -63.301
Base-Backbone interact. energy: -0.292
local terms energy: -74.206321
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -10.793
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: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -235.468775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.468775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.468775 (E_RNA)
where:
Base-Base interactions energy: -165.565
where: short stacking energy: -59.466
Base-Backbone interact. energy: 1.600
local terms energy: -71.503990
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -11.279
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: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -180.901715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.901715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.901715 (E_RNA)
where:
Base-Base interactions energy: -112.708
where: short stacking energy: -54.735
Base-Backbone interact. energy: -0.112
local terms energy: -68.082120
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -142.425402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.425402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.425402 (E_RNA)
where:
Base-Base interactions energy: -78.087
where: short stacking energy: -41.989
Base-Backbone interact. energy: -0.225
local terms energy: -64.113748
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -114.996630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.996630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.996630 (E_RNA)
where:
Base-Base interactions energy: -59.041
where: short stacking energy: -46.463
Base-Backbone interact. energy: -0.331
local terms energy: -55.624223
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -4.312
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -106.383326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.383326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.383326 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -44.904
Base-Backbone interact. energy: -0.321
local terms energy: -61.158722
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -85.484486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.484486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.484486 (E_RNA)
where:
Base-Base interactions energy: -30.367
where: short stacking energy: -30.367
Base-Backbone interact. energy: -0.011
local terms energy: -55.106181
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -80.094403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.094403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.094403 (E_RNA)
where:
Base-Base interactions energy: -21.287
where: short stacking energy: -21.287
Base-Backbone interact. energy: -0.840
local terms energy: -57.966957
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -267.379695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.379695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.379695 (E_RNA)
where:
Base-Base interactions energy: -195.155
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.167
local terms energy: -72.057264
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -229.732784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.732784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.732784 (E_RNA)
where:
Base-Base interactions energy: -152.384
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.634
local terms energy: -76.714687
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -231.364652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.364652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.364652 (E_RNA)
where:
Base-Base interactions energy: -158.267
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.370
local terms energy: -72.727817
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -229.367834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.367834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.367834 (E_RNA)
where:
Base-Base interactions energy: -161.989
where: short stacking energy: -47.956
Base-Backbone interact. energy: -0.651
local terms energy: -66.728447
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -8.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -211.088037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088037 (E_RNA)
where:
Base-Base interactions energy: -138.557
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.033
local terms energy: -72.498206
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -151.000222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.000222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.000222 (E_RNA)
where:
Base-Base interactions energy: -85.965
where: short stacking energy: -50.000
Base-Backbone interact. energy: 3.770
local terms energy: -68.805216
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -119.976391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.976391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.976391 (E_RNA)
where:
Base-Base interactions energy: -56.283
where: short stacking energy: -49.964
Base-Backbone interact. energy: -0.155
local terms energy: -63.538305
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -109.169849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.169849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.169849 (E_RNA)
where:
Base-Base interactions energy: -49.604
where: short stacking energy: -48.994
Base-Backbone interact. energy: -0.010
local terms energy: -59.556182
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -9.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -110.417353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.417353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.417353 (E_RNA)
where:
Base-Base interactions energy: -61.607
where: short stacking energy: -43.482
Base-Backbone interact. energy: -1.093
local terms energy: -47.717480
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -81.776800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776800 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -25.735
Base-Backbone interact. energy: -0.115
local terms energy: -52.038950
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -257.272198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.272198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.272198 (E_RNA)
where:
Base-Base interactions energy: -175.288
where: short stacking energy: -62.042
Base-Backbone interact. energy: -0.030
local terms energy: -81.954855
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -18.777
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: 389
Temperature: 0.950000
Total energy: -234.180391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.180391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.180391 (E_RNA)
where:
Base-Base interactions energy: -155.903
where: short stacking energy: -73.454
Base-Backbone interact. energy: -0.238
local terms energy: -78.038747
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -21.795
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: 389
Temperature: 1.000000
Total energy: -212.333332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.333332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.333332 (E_RNA)
where:
Base-Base interactions energy: -139.318
where: short stacking energy: -58.375
Base-Backbone interact. energy: -0.243
local terms energy: -72.771764
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -16.949
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: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -242.923773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.923773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.923773 (E_RNA)
where:
Base-Base interactions energy: -174.553
where: short stacking energy: -54.353
Base-Backbone interact. energy: 0.218
local terms energy: -68.588858
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -10.244
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: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -201.882023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.882023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.882023 (E_RNA)
where:
Base-Base interactions energy: -124.875
where: short stacking energy: -59.563
Base-Backbone interact. energy: -0.588
local terms energy: -76.419551
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -158.051482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.051482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.051482 (E_RNA)
where:
Base-Base interactions energy: -102.759
where: short stacking energy: -49.688
Base-Backbone interact. energy: 1.328
local terms energy: -56.621027
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -99.841447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.841447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.841447 (E_RNA)
where:
Base-Base interactions energy: -42.056
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.035
local terms energy: -57.749978
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -97.988978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988978 (E_RNA)
where:
Base-Base interactions energy: -39.245
where: short stacking energy: -38.190
Base-Backbone interact. energy: -0.081
local terms energy: -58.663481
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -2.794
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: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -93.526934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.526934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.526934 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -34.328
Base-Backbone interact. energy: 1.376
local terms energy: -59.861144
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -90.880422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.880422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.880422 (E_RNA)
where:
Base-Base interactions energy: -30.872
where: short stacking energy: -26.922
Base-Backbone interact. energy: -0.103
local terms energy: -59.905927
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -245.656073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.656073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.656073 (E_RNA)
where:
Base-Base interactions energy: -168.857
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.157
local terms energy: -76.642550
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -241.140115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.140115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.140115 (E_RNA)
where:
Base-Base interactions energy: -170.836
where: short stacking energy: -74.334
Base-Backbone interact. energy: 0.207
local terms energy: -70.511490
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -240.473862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.473862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.473862 (E_RNA)
where:
Base-Base interactions energy: -165.208
where: short stacking energy: -50.924
Base-Backbone interact. energy: -1.935
local terms energy: -73.330185
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -206.310457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.310457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.310457 (E_RNA)
where:
Base-Base interactions energy: -137.336
where: short stacking energy: -63.401
Base-Backbone interact. energy: 0.314
local terms energy: -69.288221
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -205.188633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.188633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.188633 (E_RNA)
where:
Base-Base interactions energy: -129.367
where: short stacking energy: -68.888
Base-Backbone interact. energy: -0.062
local terms energy: -75.759605
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -171.091047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.091047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.091047 (E_RNA)
where:
Base-Base interactions energy: -104.152
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.059
local terms energy: -66.880147
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -108.471931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.471931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.471931 (E_RNA)
where:
Base-Base interactions energy: -44.851
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.009
local terms energy: -63.612053
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -110.572092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.572092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.572092 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -35.336
Base-Backbone interact. energy: -0.045
local terms energy: -62.565784
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -84.623669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.623669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.623669 (E_RNA)
where:
Base-Base interactions energy: -31.043
where: short stacking energy: -27.463
Base-Backbone interact. energy: 0.460
local terms energy: -54.041135
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -82.800548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.800548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.800548 (E_RNA)
where:
Base-Base interactions energy: -35.901
where: short stacking energy: -26.041
Base-Backbone interact. energy: -0.751
local terms energy: -46.148859
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -239.538290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.538290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.538290 (E_RNA)
where:
Base-Base interactions energy: -159.278
where: short stacking energy: -78.196
Base-Backbone interact. energy: -0.121
local terms energy: -80.138621
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -20.042
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: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -244.182372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.182372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.182372 (E_RNA)
where:
Base-Base interactions energy: -170.260
where: short stacking energy: -73.657
Base-Backbone interact. energy: -0.303
local terms energy: -73.618608
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -254.525620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.525620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.525620 (E_RNA)
where:
Base-Base interactions energy: -183.752
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.712
local terms energy: -70.061595
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -10.113
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: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -215.114963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.114963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.114963 (E_RNA)
where:
Base-Base interactions energy: -139.370
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.356
local terms energy: -75.389600
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -196.347431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.347431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.347431 (E_RNA)
where:
Base-Base interactions energy: -122.585
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.100
local terms energy: -73.661955
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -167.045254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.045254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.045254 (E_RNA)
where:
Base-Base interactions energy: -91.872
where: short stacking energy: -50.960
Base-Backbone interact. energy: -1.454
local terms energy: -73.718906
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -102.984377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.984377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.984377 (E_RNA)
where:
Base-Base interactions energy: -43.429
where: short stacking energy: -31.970
Base-Backbone interact. energy: -0.324
local terms energy: -59.230922
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -0.925
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: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -98.941641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.941641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.941641 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -40.912
Base-Backbone interact. energy: -0.379
local terms energy: -57.650119
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -83.689312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689312 (E_RNA)
where:
Base-Base interactions energy: -32.930
where: short stacking energy: -22.570
Base-Backbone interact. energy: -0.283
local terms energy: -50.475967
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -80.731726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.731726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.731726 (E_RNA)
where:
Base-Base interactions energy: -26.214
where: short stacking energy: -22.027
Base-Backbone interact. energy: 0.126
local terms energy: -54.643779
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -246.694811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.694811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.694811 (E_RNA)
where:
Base-Base interactions energy: -165.946
where: short stacking energy: -67.255
Base-Backbone interact. energy: -0.311
local terms energy: -80.437355
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -10.141
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: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -237.243164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.243164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.243164 (E_RNA)
where:
Base-Base interactions energy: -162.622
where: short stacking energy: -65.836
Base-Backbone interact. energy: -0.891
local terms energy: -73.729873
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -211.685988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.685988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.685988 (E_RNA)
where:
Base-Base interactions energy: -133.279
where: short stacking energy: -70.289
Base-Backbone interact. energy: -0.221
local terms energy: -78.185111
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -19.003
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: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -237.675324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.675324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.675324 (E_RNA)
where:
Base-Base interactions energy: -171.156
where: short stacking energy: -52.322
Base-Backbone interact. energy: 2.183
local terms energy: -68.702138
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -179.411725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.411725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.411725 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -59.556
Base-Backbone interact. energy: 0.890
local terms energy: -73.275854
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -189.844101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.844101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.844101 (E_RNA)
where:
Base-Base interactions energy: -118.915
where: short stacking energy: -57.279
Base-Backbone interact. energy: -0.002
local terms energy: -70.927728
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -8.943
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: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -92.129781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.129781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.129781 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -31.183
Base-Backbone interact. energy: -0.231
local terms energy: -55.285117
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.813
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: 392
Temperature: 1.250000
Total energy: -95.166451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.166451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.166451 (E_RNA)
where:
Base-Base interactions energy: -32.394
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.483
local terms energy: -62.289430
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -95.281351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.281351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.281351 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.280
local terms energy: -65.036530
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -12.929
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: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -83.897524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.897524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.897524 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -24.900
Base-Backbone interact. energy: -0.302
local terms energy: -53.701134
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.968
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: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -252.578012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.578012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.578012 (E_RNA)
where:
Base-Base interactions energy: -172.250
where: short stacking energy: -73.415
Base-Backbone interact. energy: -0.252
local terms energy: -80.076502
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -231.936629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.936629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.936629 (E_RNA)
where:
Base-Base interactions energy: -158.848
where: short stacking energy: -65.233
Base-Backbone interact. energy: -0.362
local terms energy: -72.726056
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -13.249
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: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -207.898055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.898055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.898055 (E_RNA)
where:
Base-Base interactions energy: -135.342
where: short stacking energy: -56.887
Base-Backbone interact. energy: -0.005
local terms energy: -72.551011
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -17.746
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: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -239.033166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.033166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.033166 (E_RNA)
where:
Base-Base interactions energy: -170.972
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.116
local terms energy: -67.945729
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -179.909434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.909434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.909434 (E_RNA)
where:
Base-Base interactions energy: -115.496
where: short stacking energy: -53.532
Base-Backbone interact. energy: -0.369
local terms energy: -64.044092
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.488
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: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -175.190481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.190481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.190481 (E_RNA)
where:
Base-Base interactions energy: -112.247
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.063
local terms energy: -62.879862
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -97.520584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.520584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.520584 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -37.149
Base-Backbone interact. energy: -0.208
local terms energy: -56.902132
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -9.661
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: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -115.763065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.763065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.763065 (E_RNA)
where:
Base-Base interactions energy: -53.059
where: short stacking energy: -45.886
Base-Backbone interact. energy: -0.066
local terms energy: -62.638030
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -12.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -106.199182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.199182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.199182 (E_RNA)
where:
Base-Base interactions energy: -56.324
where: short stacking energy: -33.490
Base-Backbone interact. energy: -0.051
local terms energy: -49.824355
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -109.975773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.975773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.975773 (E_RNA)
where:
Base-Base interactions energy: -57.071
where: short stacking energy: -33.312
Base-Backbone interact. energy: -0.783
local terms energy: -52.122448
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -242.826803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.826803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.826803 (E_RNA)
where:
Base-Base interactions energy: -167.525
where: short stacking energy: -66.728
Base-Backbone interact. energy: 0.171
local terms energy: -75.472928
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -10.827
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: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -236.812861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.812861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.812861 (E_RNA)
where:
Base-Base interactions energy: -162.545
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.202
local terms energy: -74.065704
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -245.036342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.036342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.036342 (E_RNA)
where:
Base-Base interactions energy: -182.500
where: short stacking energy: -66.345
Base-Backbone interact. energy: -0.166
local terms energy: -62.369983
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -196.679751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.679751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.679751 (E_RNA)
where:
Base-Base interactions energy: -125.365
where: short stacking energy: -56.745
Base-Backbone interact. energy: -0.115
local terms energy: -71.199341
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -183.900014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.900014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.900014 (E_RNA)
where:
Base-Base interactions energy: -108.995
where: short stacking energy: -52.824
Base-Backbone interact. energy: -0.264
local terms energy: -74.641417
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -160.034723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.034723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.034723 (E_RNA)
where:
Base-Base interactions energy: -96.449
where: short stacking energy: -44.990
Base-Backbone interact. energy: -0.030
local terms energy: -63.555277
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -156.366002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.366002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.366002 (E_RNA)
where:
Base-Base interactions energy: -92.862
where: short stacking energy: -54.855
Base-Backbone interact. energy: -0.050
local terms energy: -63.453798
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -11.500
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: 394
Temperature: 1.250000
Total energy: -94.936815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.936815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.936815 (E_RNA)
where:
Base-Base interactions energy: -42.920
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.164
local terms energy: -51.852508
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -2.641
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: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -89.260982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.260982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.260982 (E_RNA)
where:
Base-Base interactions energy: -35.747
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.199
local terms energy: -53.315130
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -6.804
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -88.341955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.341955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.341955 (E_RNA)
where:
Base-Base interactions energy: -39.488
where: short stacking energy: -32.611
Base-Backbone interact. energy: -0.524
local terms energy: -48.330079
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -1.484
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: 395
Temperature: 0.900000
Total energy: -250.982974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.982974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.982974 (E_RNA)
where:
Base-Base interactions energy: -172.251
where: short stacking energy: -70.049
Base-Backbone interact. energy: -1.362
local terms energy: -77.370684
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -251.093162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.093162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.093162 (E_RNA)
where:
Base-Base interactions energy: -180.435
where: short stacking energy: -54.837
Base-Backbone interact. energy: -1.124
local terms energy: -69.534799
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -239.097136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.097136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.097136 (E_RNA)
where:
Base-Base interactions energy: -157.370
where: short stacking energy: -74.934
Base-Backbone interact. energy: -0.336
local terms energy: -81.391200
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -16.027
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: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -201.624996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.624996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.624996 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.858
local terms energy: -75.057379
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -195.293944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.293944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.293944 (E_RNA)
where:
Base-Base interactions energy: -115.516
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.279
local terms energy: -79.499518
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -13.947
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: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -179.306206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.306206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.306206 (E_RNA)
where:
Base-Base interactions energy: -120.788
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.006
local terms energy: -58.511525
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -11.621
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: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -109.800292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.800292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.800292 (E_RNA)
where:
Base-Base interactions energy: -49.595
where: short stacking energy: -46.118
Base-Backbone interact. energy: -0.026
local terms energy: -60.179296
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -91.322872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.322872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.322872 (E_RNA)
where:
Base-Base interactions energy: -28.059
where: short stacking energy: -28.059
Base-Backbone interact. energy: -0.096
local terms energy: -63.167834
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.900
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: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -91.009910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.009910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.009910 (E_RNA)
where:
Base-Base interactions energy: -35.057
where: short stacking energy: -26.730
Base-Backbone interact. energy: -0.062
local terms energy: -55.890484
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -9.590
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: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -93.659268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.659268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.659268 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -36.077
Base-Backbone interact. energy: 1.441
local terms energy: -58.399842
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -256.427337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.427337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.427337 (E_RNA)
where:
Base-Base interactions energy: -185.066
where: short stacking energy: -77.100
Base-Backbone interact. energy: -0.468
local terms energy: -70.893765
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -258.107626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.107626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.107626 (E_RNA)
where:
Base-Base interactions energy: -189.283
where: short stacking energy: -59.106
Base-Backbone interact. energy: -0.302
local terms energy: -68.522773
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -235.110961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.110961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.110961 (E_RNA)
where:
Base-Base interactions energy: -152.655
where: short stacking energy: -73.901
Base-Backbone interact. energy: 0.449
local terms energy: -82.905142
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -213.959798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.959798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.959798 (E_RNA)
where:
Base-Base interactions energy: -132.556
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.003
local terms energy: -81.400839
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -25.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -193.919468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.919468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.919468 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.037
local terms energy: -72.813494
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -164.170568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.170568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.170568 (E_RNA)
where:
Base-Base interactions energy: -97.320
where: short stacking energy: -48.023
Base-Backbone interact. energy: -1.007
local terms energy: -65.843659
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -106.373281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.373281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.373281 (E_RNA)
where:
Base-Base interactions energy: -40.166
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.094
local terms energy: -66.113716
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -85.465668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.465668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.465668 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -26.228
Base-Backbone interact. energy: 1.124
local terms energy: -48.737923
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -6.820
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: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -99.948892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.948892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.948892 (E_RNA)
where:
Base-Base interactions energy: -41.473
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.057
local terms energy: -58.419099
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -87.662202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662202 (E_RNA)
where:
Base-Base interactions energy: -33.640
where: short stacking energy: -29.536
Base-Backbone interact. energy: -1.044
local terms energy: -52.978184
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -242.429863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.429863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.429863 (E_RNA)
where:
Base-Base interactions energy: -163.257
where: short stacking energy: -72.749
Base-Backbone interact. energy: -0.471
local terms energy: -78.701887
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -260.821805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.821805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.821805 (E_RNA)
where:
Base-Base interactions energy: -194.199
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.549
local terms energy: -66.074023
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -241.485610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.485610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.485610 (E_RNA)
where:
Base-Base interactions energy: -157.305
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.101
local terms energy: -84.080220
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -191.619480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.619480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.619480 (E_RNA)
where:
Base-Base interactions energy: -114.075
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.089
local terms energy: -77.455072
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -8.235
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: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -178.233286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.233286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.233286 (E_RNA)
where:
Base-Base interactions energy: -106.650
where: short stacking energy: -45.603
Base-Backbone interact. energy: 0.339
local terms energy: -71.921521
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -105.791054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.791054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.791054 (E_RNA)
where:
Base-Base interactions energy: -43.709
where: short stacking energy: -37.448
Base-Backbone interact. energy: -0.270
local terms energy: -61.811406
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -164.210684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.210684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.210684 (E_RNA)
where:
Base-Base interactions energy: -97.162
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.093
local terms energy: -66.955334
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -90.151062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.151062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.151062 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -24.942
Base-Backbone interact. energy: -1.097
local terms energy: -52.152528
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -86.544869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.544869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.544869 (E_RNA)
where:
Base-Base interactions energy: -35.455
where: short stacking energy: -32.183
Base-Backbone interact. energy: -0.274
local terms energy: -50.816216
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -6.147
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: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -85.043108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043108 (E_RNA)
where:
Base-Base interactions energy: -33.405
where: short stacking energy: -33.336
Base-Backbone interact. energy: -0.206
local terms energy: -51.432094
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -7.332
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: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -263.965827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.965827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.965827 (E_RNA)
where:
Base-Base interactions energy: -191.984
where: short stacking energy: -69.795
Base-Backbone interact. energy: -1.064
local terms energy: -70.917549
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -256.559451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.559451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.559451 (E_RNA)
where:
Base-Base interactions energy: -173.751
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.734
local terms energy: -82.074144
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -240.510652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.510652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.510652 (E_RNA)
where:
Base-Base interactions energy: -162.166
where: short stacking energy: -75.827
Base-Backbone interact. energy: -0.286
local terms energy: -78.058237
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -194.892433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.892433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.892433 (E_RNA)
where:
Base-Base interactions energy: -118.174
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.131
local terms energy: -76.587354
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -190.159205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.159205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.159205 (E_RNA)
where:
Base-Base interactions energy: -118.977
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.107
local terms energy: -71.074773
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -105.811380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.811380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.811380 (E_RNA)
where:
Base-Base interactions energy: -44.388
where: short stacking energy: -39.865
Base-Backbone interact. energy: -0.035
local terms energy: -61.387971
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -162.714242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.714242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.714242 (E_RNA)
where:
Base-Base interactions energy: -107.824
where: short stacking energy: -49.891
Base-Backbone interact. energy: -0.192
local terms energy: -54.697717
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -8.629
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -95.856380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.856380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.856380 (E_RNA)
where:
Base-Base interactions energy: -43.727
where: short stacking energy: -28.284
Base-Backbone interact. energy: -0.586
local terms energy: -51.543383
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -99.625532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.625532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.625532 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -27.494
Base-Backbone interact. energy: -0.566
local terms energy: -66.298243
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -87.361702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361702 (E_RNA)
where:
Base-Base interactions energy: -42.771
where: short stacking energy: -32.781
Base-Backbone interact. energy: 1.796
local terms energy: -46.386872
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -265.010938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.010938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.010938 (E_RNA)
where:
Base-Base interactions energy: -188.647
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.117
local terms energy: -76.246733
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -245.371372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.371372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.371372 (E_RNA)
where:
Base-Base interactions energy: -171.204
where: short stacking energy: -71.511
Base-Backbone interact. energy: -0.006
local terms energy: -74.162108
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -232.900105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.900105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.900105 (E_RNA)
where:
Base-Base interactions energy: -154.550
where: short stacking energy: -70.626
Base-Backbone interact. energy: -0.698
local terms energy: -77.652759
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -202.975447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.975447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.975447 (E_RNA)
where:
Base-Base interactions energy: -133.039
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.003
local terms energy: -69.932571
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -189.342229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.342229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.342229 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.257
local terms energy: -67.386960
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -179.355809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.355809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.355809 (E_RNA)
where:
Base-Base interactions energy: -120.157
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.893
local terms energy: -58.305808
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -97.097139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.097139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.097139 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.111
local terms energy: -57.753094
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -4.025
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: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -94.544097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.544097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.544097 (E_RNA)
where:
Base-Base interactions energy: -42.551
where: short stacking energy: -31.273
Base-Backbone interact. energy: -0.108
local terms energy: -51.884944
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -96.038142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.038142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.038142 (E_RNA)
where:
Base-Base interactions energy: -45.106
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.001
local terms energy: -50.931273
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -1.836
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: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -83.032791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.032791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.032791 (E_RNA)
where:
Base-Base interactions energy: -27.036
where: short stacking energy: -26.942
Base-Backbone interact. energy: -0.058
local terms energy: -55.937883
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -262.677003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.677003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.677003 (E_RNA)
where:
Base-Base interactions energy: -182.829
where: short stacking energy: -62.247
Base-Backbone interact. energy: 0.063
local terms energy: -79.911066
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -19.221
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: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -240.870537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.870537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.870537 (E_RNA)
where:
Base-Base interactions energy: -168.584
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.265
local terms energy: -72.020863
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -9.207
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: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -238.334785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.334785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.334785 (E_RNA)
where:
Base-Base interactions energy: -156.778
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.270
local terms energy: -81.286792
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -189.182832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.182832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.182832 (E_RNA)
where:
Base-Base interactions energy: -117.204
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.158
local terms energy: -71.820693
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -12.256
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -182.821535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.821535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.821535 (E_RNA)
where:
Base-Base interactions energy: -110.203
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.001
local terms energy: -72.617662
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.459
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: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -158.349948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.349948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.349948 (E_RNA)
where:
Base-Base interactions energy: -96.243
where: short stacking energy: -48.636
Base-Backbone interact. energy: 1.135
local terms energy: -63.241369
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -94.521641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.521641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.521641 (E_RNA)
where:
Base-Base interactions energy: -44.427
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.148
local terms energy: -49.946419
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -1.329
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -105.541771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.541771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.541771 (E_RNA)
where:
Base-Base interactions energy: -56.304
where: short stacking energy: -33.583
Base-Backbone interact. energy: -0.169
local terms energy: -49.068801
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -91.692363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.692363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.692363 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.117
local terms energy: -58.781581
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -82.851777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.851777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.851777 (E_RNA)
where:
Base-Base interactions energy: -33.151
where: short stacking energy: -29.077
Base-Backbone interact. energy: -0.054
local terms energy: -49.646831
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -255.156621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.156621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.156621 (E_RNA)
where:
Base-Base interactions energy: -175.459
where: short stacking energy: -71.777
Base-Backbone interact. energy: -0.493
local terms energy: -79.204787
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -242.554076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.554076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.554076 (E_RNA)
where:
Base-Base interactions energy: -165.571
where: short stacking energy: -65.430
Base-Backbone interact. energy: -1.131
local terms energy: -75.852527
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -237.918354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.918354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.918354 (E_RNA)
where:
Base-Base interactions energy: -160.527
where: short stacking energy: -68.204
Base-Backbone interact. energy: -0.303
local terms energy: -77.087997
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -11.949
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: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -180.287073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.287073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.287073 (E_RNA)
where:
Base-Base interactions energy: -105.412
where: short stacking energy: -54.953
Base-Backbone interact. energy: -0.014
local terms energy: -74.860440
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -197.453981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.453981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.453981 (E_RNA)
where:
Base-Base interactions energy: -125.298
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.467
local terms energy: -71.689412
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -162.414387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.414387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.414387 (E_RNA)
where:
Base-Base interactions energy: -108.245
where: short stacking energy: -52.326
Base-Backbone interact. energy: 0.789
local terms energy: -54.958270
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -100.905236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.905236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.905236 (E_RNA)
where:
Base-Base interactions energy: -37.990
where: short stacking energy: -34.451
Base-Backbone interact. energy: -0.305
local terms energy: -62.610577
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -92.178849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.178849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.178849 (E_RNA)
where:
Base-Base interactions energy: -33.123
where: short stacking energy: -23.201
Base-Backbone interact. energy: -0.060
local terms energy: -58.995781
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -105.263296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.263296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.263296 (E_RNA)
where:
Base-Base interactions energy: -54.391
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.085
local terms energy: -50.786724
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -74.882003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.882003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.882003 (E_RNA)
where:
Base-Base interactions energy: -31.949
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.148
local terms energy: -42.785906
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -261.029864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.029864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.029864 (E_RNA)
where:
Base-Base interactions energy: -193.209
where: short stacking energy: -61.227
Base-Backbone interact. energy: 0.713
local terms energy: -68.534640
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -251.491197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.491197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.491197 (E_RNA)
where:
Base-Base interactions energy: -177.728
where: short stacking energy: -69.830
Base-Backbone interact. energy: -0.477
local terms energy: -73.285466
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -232.187359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.187359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.187359 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.593
local terms energy: -79.587044
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -188.279023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.279023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.279023 (E_RNA)
where:
Base-Base interactions energy: -106.303
where: short stacking energy: -63.581
Base-Backbone interact. energy: -0.012
local terms energy: -81.964377
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -189.240269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.240269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.240269 (E_RNA)
where:
Base-Base interactions energy: -122.054
where: short stacking energy: -56.125
Base-Backbone interact. energy: -0.083
local terms energy: -67.103146
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -161.816510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.816510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.816510 (E_RNA)
where:
Base-Base interactions energy: -107.805
where: short stacking energy: -50.871
Base-Backbone interact. energy: -0.125
local terms energy: -53.886781
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -110.591359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.591359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.591359 (E_RNA)
where:
Base-Base interactions energy: -48.978
where: short stacking energy: -27.406
Base-Backbone interact. energy: -1.071
local terms energy: -60.542169
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -91.914847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.914847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.914847 (E_RNA)
where:
Base-Base interactions energy: -31.542
where: short stacking energy: -22.505
Base-Backbone interact. energy: 1.595
local terms energy: -61.967835
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -1.782
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: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -86.118249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.118249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.118249 (E_RNA)
where:
Base-Base interactions energy: -35.684
where: short stacking energy: -34.832
Base-Backbone interact. energy: -0.231
local terms energy: -50.203336
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -76.490977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.490977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.490977 (E_RNA)
where:
Base-Base interactions energy: -27.177
where: short stacking energy: -21.537
Base-Backbone interact. energy: -0.114
local terms energy: -49.199499
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -262.214788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.214788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.214788 (E_RNA)
where:
Base-Base interactions energy: -198.770
where: short stacking energy: -75.367
Base-Backbone interact. energy: -0.239
local terms energy: -63.206075
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -17.322
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: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -232.769973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.769973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.769973 (E_RNA)
where:
Base-Base interactions energy: -158.409
where: short stacking energy: -70.470
Base-Backbone interact. energy: -0.342
local terms energy: -74.018935
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.671
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: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -235.835358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.835358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.835358 (E_RNA)
where:
Base-Base interactions energy: -160.838
where: short stacking energy: -68.908
Base-Backbone interact. energy: -1.581
local terms energy: -73.415749
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.562
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: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -191.313492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.313492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.313492 (E_RNA)
where:
Base-Base interactions energy: -123.374
where: short stacking energy: -54.675
Base-Backbone interact. energy: -2.042
local terms energy: -65.897788
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -12.291
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: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -172.618906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.618906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.618906 (E_RNA)
where:
Base-Base interactions energy: -100.658
where: short stacking energy: -50.215
Base-Backbone interact. energy: -0.120
local terms energy: -71.841491
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -176.745845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.745845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.745845 (E_RNA)
where:
Base-Base interactions energy: -108.438
where: short stacking energy: -58.823
Base-Backbone interact. energy: -0.274
local terms energy: -68.033869
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -10.353
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: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -89.212740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.212740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.212740 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -29.983
Base-Backbone interact. energy: 2.370
local terms energy: -50.087866
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -5.388
flat angles P-C4'-P energy: -8.269
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: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -96.194057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.194057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.194057 (E_RNA)
where:
Base-Base interactions energy: -40.186
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.099
local terms energy: -55.909433
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -106.239709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.239709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.239709 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -38.653
Base-Backbone interact. energy: -0.296
local terms energy: -60.782025
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -4.139
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: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -88.087330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.087330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.087330 (E_RNA)
where:
Base-Base interactions energy: -43.455
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.111
local terms energy: -44.521043
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -3.383
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: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -262.359506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.359506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.359506 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -65.670
Base-Backbone interact. energy: 4.707
local terms energy: -70.939700
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -237.718766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.718766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.718766 (E_RNA)
where:
Base-Base interactions energy: -161.602
where: short stacking energy: -62.859
Base-Backbone interact. energy: -0.198
local terms energy: -75.918676
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -9.128
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: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -234.251425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.251425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.251425 (E_RNA)
where:
Base-Base interactions energy: -166.013
where: short stacking energy: -60.917
Base-Backbone interact. energy: 2.240
local terms energy: -70.478084
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -6.896
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: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -185.587231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.587231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.587231 (E_RNA)
where:
Base-Base interactions energy: -117.351
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.110
local terms energy: -68.126355
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -159.421238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.421238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.421238 (E_RNA)
where:
Base-Base interactions energy: -92.582
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.004
local terms energy: -66.835495
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -173.005784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.005784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.005784 (E_RNA)
where:
Base-Base interactions energy: -108.397
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.083
local terms energy: -64.525093
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -94.100830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.100830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.100830 (E_RNA)
where:
Base-Base interactions energy: -37.158
where: short stacking energy: -25.297
Base-Backbone interact. energy: -0.560
local terms energy: -56.382693
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -7.489
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: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -101.943446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.943446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.943446 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -31.802
Base-Backbone interact. energy: -0.824
local terms energy: -69.317847
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -8.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -87.113362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.113362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.113362 (E_RNA)
where:
Base-Base interactions energy: -27.206
where: short stacking energy: -18.572
Base-Backbone interact. energy: 0.735
local terms energy: -60.642570
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -98.660893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.660893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.660893 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -40.789
Base-Backbone interact. energy: -0.038
local terms energy: -57.833788
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -259.071233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.071233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.071233 (E_RNA)
where:
Base-Base interactions energy: -181.480
where: short stacking energy: -70.704
Base-Backbone interact. energy: 0.379
local terms energy: -77.969705
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -10.233
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: 405
Temperature: 0.950000
Total energy: -242.439024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.439024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.439024 (E_RNA)
where:
Base-Base interactions energy: -165.264
where: short stacking energy: -62.014
Base-Backbone interact. energy: -0.331
local terms energy: -76.843835
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -13.697
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: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -226.741095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.741095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.741095 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.505
local terms energy: -79.410179
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -18.815
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: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -182.639714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.639714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.639714 (E_RNA)
where:
Base-Base interactions energy: -110.013
where: short stacking energy: -46.744
Base-Backbone interact. energy: -1.985
local terms energy: -70.641655
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -189.868749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.868749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.868749 (E_RNA)
where:
Base-Base interactions energy: -125.137
where: short stacking energy: -61.757
Base-Backbone interact. energy: 1.911
local terms energy: -66.642531
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -165.340854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.340854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.340854 (E_RNA)
where:
Base-Base interactions energy: -102.881
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.282
local terms energy: -62.178362
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -165.842206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.842206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.842206 (E_RNA)
where:
Base-Base interactions energy: -103.172
where: short stacking energy: -44.864
Base-Backbone interact. energy: -0.289
local terms energy: -62.381580
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -95.304460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.304460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.304460 (E_RNA)
where:
Base-Base interactions energy: -42.027
where: short stacking energy: -30.651
Base-Backbone interact. energy: 1.587
local terms energy: -54.864258
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -94.621551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.621551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.621551 (E_RNA)
where:
Base-Base interactions energy: -37.818
where: short stacking energy: -37.068
Base-Backbone interact. energy: -0.128
local terms energy: -56.675711
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -81.710065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.710065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.710065 (E_RNA)
where:
Base-Base interactions energy: -34.001
where: short stacking energy: -30.525
Base-Backbone interact. energy: 0.368
local terms energy: -48.077206
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -1.909
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: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -243.531994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.531994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.531994 (E_RNA)
where:
Base-Base interactions energy: -167.543
where: short stacking energy: -66.688
Base-Backbone interact. energy: -0.711
local terms energy: -75.278714
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -261.191072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.191072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.191072 (E_RNA)
where:
Base-Base interactions energy: -185.700
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.627
local terms energy: -74.864784
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -221.505551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.505551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.505551 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -72.682
Base-Backbone interact. energy: -0.536
local terms energy: -69.943435
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -197.415673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.415673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.415673 (E_RNA)
where:
Base-Base interactions energy: -113.186
where: short stacking energy: -66.243
Base-Backbone interact. energy: -0.019
local terms energy: -84.211192
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -18.542
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: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -178.483076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.483076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.483076 (E_RNA)
where:
Base-Base interactions energy: -106.286
where: short stacking energy: -53.997
Base-Backbone interact. energy: -0.299
local terms energy: -71.897632
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -176.208723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.208723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.208723 (E_RNA)
where:
Base-Base interactions energy: -112.425
where: short stacking energy: -54.537
Base-Backbone interact. energy: -0.346
local terms energy: -63.438395
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -99.426361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.426361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.426361 (E_RNA)
where:
Base-Base interactions energy: -43.039
where: short stacking energy: -43.039
Base-Backbone interact. energy: 0.876
local terms energy: -57.263550
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -6.860
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -100.272114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.272114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.272114 (E_RNA)
where:
Base-Base interactions energy: -46.858
where: short stacking energy: -35.288
Base-Backbone interact. energy: -0.773
local terms energy: -52.640887
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -9.506
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: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -83.262294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.262294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.262294 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.126
local terms energy: -51.532845
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -89.270078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.270078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.270078 (E_RNA)
where:
Base-Base interactions energy: -41.106
where: short stacking energy: -34.893
Base-Backbone interact. energy: -0.411
local terms energy: -47.753137
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: 1.141
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: 407
Temperature: 0.900000
Total energy: -240.133260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.133260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.133260 (E_RNA)
where:
Base-Base interactions energy: -156.254
where: short stacking energy: -63.758
Base-Backbone interact. energy: 0.217
local terms energy: -84.096575
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -14.213
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: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -258.065224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.065224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.065224 (E_RNA)
where:
Base-Base interactions energy: -186.217
where: short stacking energy: -68.201
Base-Backbone interact. energy: -0.298
local terms energy: -71.549487
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -230.849801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.849801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.849801 (E_RNA)
where:
Base-Base interactions energy: -154.245
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.677
local terms energy: -75.928687
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -21.648
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: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -204.020978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.020978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.020978 (E_RNA)
where:
Base-Base interactions energy: -136.693
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.135
local terms energy: -67.192346
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -8.549
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: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -159.973437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.973437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.973437 (E_RNA)
where:
Base-Base interactions energy: -92.968
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.063
local terms energy: -66.942519
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -180.813372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.813372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.813372 (E_RNA)
where:
Base-Base interactions energy: -122.525
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.238
local terms energy: -58.049999
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -11.379
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: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -89.721910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721910 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -26.628
Base-Backbone interact. energy: -0.264
local terms energy: -61.607999
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.132
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: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -93.792891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.792891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.792891 (E_RNA)
where:
Base-Base interactions energy: -35.304
where: short stacking energy: -35.304
Base-Backbone interact. energy: -0.280
local terms energy: -58.209049
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -7.295
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -83.873335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.873335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.873335 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -23.975
Base-Backbone interact. energy: -0.316
local terms energy: -50.436432
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -9.420
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: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -97.727913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.727913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.727913 (E_RNA)
where:
Base-Base interactions energy: -42.414
where: short stacking energy: -42.414
Base-Backbone interact. energy: -0.010
local terms energy: -55.303600
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -10.384
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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -258.646173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.646173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.646173 (E_RNA)
where:
Base-Base interactions energy: -183.408
where: short stacking energy: -62.177
Base-Backbone interact. energy: -0.919
local terms energy: -74.319007
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.042
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: 408
Temperature: 0.950000
Total energy: -242.794761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.794761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.794761 (E_RNA)
where:
Base-Base interactions energy: -173.742
where: short stacking energy: -65.413
Base-Backbone interact. energy: 0.024
local terms energy: -69.076776
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.375
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: 408
Temperature: 1.000000
Total energy: -235.911019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.911019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.911019 (E_RNA)
where:
Base-Base interactions energy: -155.695
where: short stacking energy: -69.692
Base-Backbone interact. energy: -0.168
local terms energy: -80.048079
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -191.254613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.254613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.254613 (E_RNA)
where:
Base-Base interactions energy: -123.194
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.065
local terms energy: -67.995398
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.037
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: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -223.047566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.047566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.047566 (E_RNA)
where:
Base-Base interactions energy: -144.266
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.399
local terms energy: -78.382891
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -18.398
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -164.065677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.065677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.065677 (E_RNA)
where:
Base-Base interactions energy: -101.955
where: short stacking energy: -47.104
Base-Backbone interact. energy: 1.228
local terms energy: -63.338799
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -13.650
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: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -107.834741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.834741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.834741 (E_RNA)
where:
Base-Base interactions energy: -52.333
where: short stacking energy: -25.932
Base-Backbone interact. energy: 0.737
local terms energy: -56.238848
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -91.490987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.490987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.490987 (E_RNA)
where:
Base-Base interactions energy: -39.853
where: short stacking energy: -38.774
Base-Backbone interact. energy: -0.047
local terms energy: -51.591181
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -95.710997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.710997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.710997 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.228
local terms energy: -55.911716
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -89.378902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.378902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.378902 (E_RNA)
where:
Base-Base interactions energy: -41.584
where: short stacking energy: -26.419
Base-Backbone interact. energy: -0.136
local terms energy: -47.658822
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -261.016031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.016031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.016031 (E_RNA)
where:
Base-Base interactions energy: -194.507
where: short stacking energy: -68.830
Base-Backbone interact. energy: 2.590
local terms energy: -69.099350
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -6.683
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: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -246.864431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.864431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.864431 (E_RNA)
where:
Base-Base interactions energy: -160.364
where: short stacking energy: -78.810
Base-Backbone interact. energy: -1.008
local terms energy: -85.492153
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -237.452077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.452077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.452077 (E_RNA)
where:
Base-Base interactions energy: -153.490
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.361
local terms energy: -83.600626
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -13.790
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: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -230.290219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.290219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.290219 (E_RNA)
where:
Base-Base interactions energy: -161.020
where: short stacking energy: -55.277
Base-Backbone interact. energy: 1.484
local terms energy: -70.754724
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -181.829059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.829059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.829059 (E_RNA)
where:
Base-Base interactions energy: -113.332
where: short stacking energy: -58.089
Base-Backbone interact. energy: -1.331
local terms energy: -67.166037
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -178.548446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.548446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.548446 (E_RNA)
where:
Base-Base interactions energy: -111.905
where: short stacking energy: -55.248
Base-Backbone interact. energy: -0.018
local terms energy: -66.626211
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -109.158072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.158072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.158072 (E_RNA)
where:
Base-Base interactions energy: -39.888
where: short stacking energy: -39.888
Base-Backbone interact. energy: -0.024
local terms energy: -69.245730
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -10.142
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: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -87.333204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.333204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.333204 (E_RNA)
where:
Base-Base interactions energy: -39.720
where: short stacking energy: -36.559
Base-Backbone interact. energy: -0.091
local terms energy: -47.522376
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -95.487322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.487322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.487322 (E_RNA)
where:
Base-Base interactions energy: -48.832
where: short stacking energy: -26.537
Base-Backbone interact. energy: -0.158
local terms energy: -46.497607
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -82.495579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.495579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.495579 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.461
local terms energy: -44.471084
where:
bonds (distance) C4'-P energy: -6.045
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -257.064814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.064814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.064814 (E_RNA)
where:
Base-Base interactions energy: -181.506
where: short stacking energy: -73.340
Base-Backbone interact. energy: 0.467
local terms energy: -76.025953
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -241.184161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.184161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.184161 (E_RNA)
where:
Base-Base interactions energy: -162.175
where: short stacking energy: -74.141
Base-Backbone interact. energy: -0.636
local terms energy: -78.372803
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -13.846
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: 410
Temperature: 1.000000
Total energy: -232.092886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.092886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.092886 (E_RNA)
where:
Base-Base interactions energy: -158.435
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.057
local terms energy: -73.600569
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -229.411539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.411539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.411539 (E_RNA)
where:
Base-Base interactions energy: -162.282
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.262
local terms energy: -66.867118
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -174.657016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.657016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.657016 (E_RNA)
where:
Base-Base interactions energy: -107.395
where: short stacking energy: -50.331
Base-Backbone interact. energy: -0.224
local terms energy: -67.037244
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -166.833951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.833951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.833951 (E_RNA)
where:
Base-Base interactions energy: -110.907
where: short stacking energy: -36.875
Base-Backbone interact. energy: 0.173
local terms energy: -56.100149
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -3.939
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: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -102.741364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.741364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.741364 (E_RNA)
where:
Base-Base interactions energy: -46.630
where: short stacking energy: -42.552
Base-Backbone interact. energy: -0.019
local terms energy: -56.092022
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -8.554
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -104.364689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364689 (E_RNA)
where:
Base-Base interactions energy: -47.188
where: short stacking energy: -39.942
Base-Backbone interact. energy: -0.086
local terms energy: -57.090963
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -96.530948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.530948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.530948 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -33.993
Base-Backbone interact. energy: -0.107
local terms energy: -62.195895
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -116.380017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.380017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.380017 (E_RNA)
where:
Base-Base interactions energy: -70.388
where: short stacking energy: -34.329
Base-Backbone interact. energy: 0.998
local terms energy: -46.990077
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -256.340851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.340851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.340851 (E_RNA)
where:
Base-Base interactions energy: -175.598
where: short stacking energy: -74.753
Base-Backbone interact. energy: -0.066
local terms energy: -80.676653
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -242.798753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.798753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.798753 (E_RNA)
where:
Base-Base interactions energy: -159.043
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.156
local terms energy: -83.599602
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -236.869738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.869738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.869738 (E_RNA)
where:
Base-Base interactions energy: -160.808
where: short stacking energy: -63.168
Base-Backbone interact. energy: -0.344
local terms energy: -75.717939
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -228.049566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.049566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.049566 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.396
local terms energy: -79.711581
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -18.629
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: 411
Temperature: 1.100000
Total energy: -180.292052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.292052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.292052 (E_RNA)
where:
Base-Base interactions energy: -115.096
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.020
local terms energy: -65.175916
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -186.652263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.652263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.652263 (E_RNA)
where:
Base-Base interactions energy: -111.017
where: short stacking energy: -62.121
Base-Backbone interact. energy: -0.045
local terms energy: -75.590516
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -94.480591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.480591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.480591 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -34.084
Base-Backbone interact. energy: 0.061
local terms energy: -60.457732
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -97.184342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.184342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.184342 (E_RNA)
where:
Base-Base interactions energy: -36.931
where: short stacking energy: -37.231
Base-Backbone interact. energy: 0.686
local terms energy: -60.939354
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.620
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: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -88.375678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.375678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.375678 (E_RNA)
where:
Base-Base interactions energy: -36.923
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.263
local terms energy: -51.189444
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -7.898
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -6.310
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: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -80.856490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.856490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.856490 (E_RNA)
where:
Base-Base interactions energy: -32.858
where: short stacking energy: -25.413
Base-Backbone interact. energy: -0.219
local terms energy: -47.778826
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -259.138843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.138843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.138843 (E_RNA)
where:
Base-Base interactions energy: -183.484
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.159
local terms energy: -75.496184
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -247.496793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.496793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.496793 (E_RNA)
where:
Base-Base interactions energy: -166.845
where: short stacking energy: -74.395
Base-Backbone interact. energy: -0.637
local terms energy: -80.014626
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -236.081375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.081375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.081375 (E_RNA)
where:
Base-Base interactions energy: -159.758
where: short stacking energy: -74.519
Base-Backbone interact. energy: -0.515
local terms energy: -75.808865
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.916
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: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -232.523563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.523563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.523563 (E_RNA)
where:
Base-Base interactions energy: -165.822
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.180
local terms energy: -66.521642
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -168.797609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.797609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.797609 (E_RNA)
where:
Base-Base interactions energy: -108.529
where: short stacking energy: -46.836
Base-Backbone interact. energy: 0.069
local terms energy: -60.337747
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -170.808513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.808513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.808513 (E_RNA)
where:
Base-Base interactions energy: -109.664
where: short stacking energy: -57.986
Base-Backbone interact. energy: 0.468
local terms energy: -61.612762
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -8.682
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -103.694730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.694730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.694730 (E_RNA)
where:
Base-Base interactions energy: -41.566
where: short stacking energy: -38.896
Base-Backbone interact. energy: -0.133
local terms energy: -61.995593
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -97.633460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.633460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.633460 (E_RNA)
where:
Base-Base interactions energy: -51.287
where: short stacking energy: -39.389
Base-Backbone interact. energy: -1.109
local terms energy: -45.237902
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -10.454
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: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -105.138066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.138066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.138066 (E_RNA)
where:
Base-Base interactions energy: -46.377
where: short stacking energy: -24.699
Base-Backbone interact. energy: 0.374
local terms energy: -59.135137
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -78.584526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584526 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.036
local terms energy: -53.232511
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -8.117
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: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -256.108965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.108965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.108965 (E_RNA)
where:
Base-Base interactions energy: -174.683
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.770
local terms energy: -80.655961
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -239.705966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.705966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.705966 (E_RNA)
where:
Base-Base interactions energy: -160.207
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.721
local terms energy: -78.778616
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -247.472779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.472779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.472779 (E_RNA)
where:
Base-Base interactions energy: -175.317
where: short stacking energy: -73.819
Base-Backbone interact. energy: -0.864
local terms energy: -71.292533
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -8.303
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: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -229.870306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.870306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.870306 (E_RNA)
where:
Base-Base interactions energy: -161.497
where: short stacking energy: -67.831
Base-Backbone interact. energy: 1.323
local terms energy: -69.696063
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -182.987450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.987450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.987450 (E_RNA)
where:
Base-Base interactions energy: -112.021
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.227
local terms energy: -70.739416
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -15.188
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: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -171.403744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.403744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.403744 (E_RNA)
where:
Base-Base interactions energy: -110.889
where: short stacking energy: -54.077
Base-Backbone interact. energy: -0.226
local terms energy: -60.288562
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -94.153804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.153804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.153804 (E_RNA)
where:
Base-Base interactions energy: -33.285
where: short stacking energy: -33.285
Base-Backbone interact. energy: -0.377
local terms energy: -60.492001
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -102.921562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.921562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.921562 (E_RNA)
where:
Base-Base interactions energy: -43.281
where: short stacking energy: -26.395
Base-Backbone interact. energy: -0.870
local terms energy: -58.770648
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -90.111851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111851 (E_RNA)
where:
Base-Base interactions energy: -25.099
where: short stacking energy: -24.091
Base-Backbone interact. energy: -1.480
local terms energy: -63.532551
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -6.477
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: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -85.831928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.831928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.831928 (E_RNA)
where:
Base-Base interactions energy: -26.383
where: short stacking energy: -26.383
Base-Backbone interact. energy: -0.202
local terms energy: -59.246554
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -250.368525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.368525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.368525 (E_RNA)
where:
Base-Base interactions energy: -175.678
where: short stacking energy: -73.664
Base-Backbone interact. energy: -0.107
local terms energy: -74.583381
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -7.667
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: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -236.851034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.851034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.851034 (E_RNA)
where:
Base-Base interactions energy: -163.917
where: short stacking energy: -68.910
Base-Backbone interact. energy: -0.212
local terms energy: -72.721640
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -234.092102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.092102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.092102 (E_RNA)
where:
Base-Base interactions energy: -153.229
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.248
local terms energy: -80.615516
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -232.857735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.857735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.857735 (E_RNA)
where:
Base-Base interactions energy: -159.990
where: short stacking energy: -66.815
Base-Backbone interact. energy: 5.818
local terms energy: -78.685191
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -15.409
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: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -168.330489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.330489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.330489 (E_RNA)
where:
Base-Base interactions energy: -99.153
where: short stacking energy: -52.790
Base-Backbone interact. energy: -0.008
local terms energy: -69.169755
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -143.640896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.640896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.640896 (E_RNA)
where:
Base-Base interactions energy: -75.341
where: short stacking energy: -46.547
Base-Backbone interact. energy: 0.041
local terms energy: -68.340938
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -10.785
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: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -93.177897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.177897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.177897 (E_RNA)
where:
Base-Base interactions energy: -41.055
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.006
local terms energy: -52.116634
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -99.924673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.924673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.924673 (E_RNA)
where:
Base-Base interactions energy: -45.014
where: short stacking energy: -40.538
Base-Backbone interact. energy: 3.076
local terms energy: -57.987200
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -12.232
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: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -91.552487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.552487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.552487 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -29.307
Base-Backbone interact. energy: 0.300
local terms energy: -59.263382
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -87.591251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591251 (E_RNA)
where:
Base-Base interactions energy: -25.751
where: short stacking energy: -23.956
Base-Backbone interact. energy: -0.244
local terms energy: -61.596335
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -249.512452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.512452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.512452 (E_RNA)
where:
Base-Base interactions energy: -164.434
where: short stacking energy: -70.850
Base-Backbone interact. energy: -0.987
local terms energy: -84.090917
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -247.701323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.701323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.701323 (E_RNA)
where:
Base-Base interactions energy: -165.242
where: short stacking energy: -75.971
Base-Backbone interact. energy: -0.257
local terms energy: -82.202531
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -238.971946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.971946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.971946 (E_RNA)
where:
Base-Base interactions energy: -159.093
where: short stacking energy: -72.203
Base-Backbone interact. energy: -0.123
local terms energy: -79.755916
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -242.867330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.867330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.867330 (E_RNA)
where:
Base-Base interactions energy: -170.393
where: short stacking energy: -72.909
Base-Backbone interact. energy: -0.117
local terms energy: -72.357264
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -10.287
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: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -176.527209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.527209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.527209 (E_RNA)
where:
Base-Base interactions energy: -115.140
where: short stacking energy: -48.690
Base-Backbone interact. energy: -0.194
local terms energy: -61.193645
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -11.397
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: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -160.006815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.006815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.006815 (E_RNA)
where:
Base-Base interactions energy: -95.360
where: short stacking energy: -51.493
Base-Backbone interact. energy: -0.168
local terms energy: -64.478088
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -6.718
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: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -99.895260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.895260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.895260 (E_RNA)
where:
Base-Base interactions energy: -39.287
where: short stacking energy: -36.210
Base-Backbone interact. energy: -0.272
local terms energy: -60.336021
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -98.411494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.411494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.411494 (E_RNA)
where:
Base-Base interactions energy: -31.728
where: short stacking energy: -30.154
Base-Backbone interact. energy: -0.242
local terms energy: -66.441294
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -89.817973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.817973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.817973 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -37.936
Base-Backbone interact. energy: 0.496
local terms energy: -52.378189
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -81.252627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.252627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.252627 (E_RNA)
where:
Base-Base interactions energy: -39.535
where: short stacking energy: -23.758
Base-Backbone interact. energy: -0.318
local terms energy: -41.399983
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: 5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -258.900801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.900801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.900801 (E_RNA)
where:
Base-Base interactions energy: -176.169
where: short stacking energy: -79.908
Base-Backbone interact. energy: -0.332
local terms energy: -82.398931
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -236.405804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.405804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.405804 (E_RNA)
where:
Base-Base interactions energy: -158.769
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.269
local terms energy: -77.367041
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -245.372635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.372635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.372635 (E_RNA)
where:
Base-Base interactions energy: -169.266
where: short stacking energy: -74.364
Base-Backbone interact. energy: 0.183
local terms energy: -76.289797
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -228.820137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.820137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.820137 (E_RNA)
where:
Base-Base interactions energy: -162.616
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.119
local terms energy: -66.085509
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -15.172
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: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -163.675437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.675437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.675437 (E_RNA)
where:
Base-Base interactions energy: -91.295
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.024
local terms energy: -72.356800
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -156.803016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.803016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.803016 (E_RNA)
where:
Base-Base interactions energy: -89.786
where: short stacking energy: -39.655
Base-Backbone interact. energy: -0.045
local terms energy: -66.971721
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -95.303604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303604 (E_RNA)
where:
Base-Base interactions energy: -46.488
where: short stacking energy: -36.361
Base-Backbone interact. energy: -0.073
local terms energy: -48.742936
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -87.635552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.635552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.635552 (E_RNA)
where:
Base-Base interactions energy: -42.996
where: short stacking energy: -17.271
Base-Backbone interact. energy: -0.257
local terms energy: -44.381926
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -79.466248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.466248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.466248 (E_RNA)
where:
Base-Base interactions energy: -32.811
where: short stacking energy: -23.406
Base-Backbone interact. energy: -0.304
local terms energy: -46.350509
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -98.298256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.298256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.298256 (E_RNA)
where:
Base-Base interactions energy: -40.846
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.125
local terms energy: -57.326371
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -252.737066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.737066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.737066 (E_RNA)
where:
Base-Base interactions energy: -176.463
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.142
local terms energy: -76.131746
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -255.910191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.910191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.910191 (E_RNA)
where:
Base-Base interactions energy: -174.121
where: short stacking energy: -73.225
Base-Backbone interact. energy: -0.346
local terms energy: -81.442829
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -239.233520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.233520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.233520 (E_RNA)
where:
Base-Base interactions energy: -161.282
where: short stacking energy: -73.293
Base-Backbone interact. energy: -0.477
local terms energy: -77.474583
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -7.744
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: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -232.778490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.778490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.778490 (E_RNA)
where:
Base-Base interactions energy: -153.754
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.788
local terms energy: -78.236818
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -167.621674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.621674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.621674 (E_RNA)
where:
Base-Base interactions energy: -99.041
where: short stacking energy: -45.602
Base-Backbone interact. energy: -0.111
local terms energy: -68.468958
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -8.507
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: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -188.340877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.340877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.340877 (E_RNA)
where:
Base-Base interactions energy: -117.873
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.019
local terms energy: -70.448248
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -92.349359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.349359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.349359 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -35.076
Base-Backbone interact. energy: 0.024
local terms energy: -57.297436
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -6.145
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: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -85.794600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.794600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.794600 (E_RNA)
where:
Base-Base interactions energy: -30.582
where: short stacking energy: -18.175
Base-Backbone interact. energy: 0.923
local terms energy: -56.136178
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -8.217
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: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -81.948558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.948558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.948558 (E_RNA)
where:
Base-Base interactions energy: -33.713
where: short stacking energy: -20.928
Base-Backbone interact. energy: -0.001
local terms energy: -48.234809
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -77.011547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.011547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.011547 (E_RNA)
where:
Base-Base interactions energy: -22.626
where: short stacking energy: -20.594
Base-Backbone interact. energy: -0.163
local terms energy: -54.222040
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: 1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -251.674299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.674299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.674299 (E_RNA)
where:
Base-Base interactions energy: -174.384
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.079
local terms energy: -77.212006
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -261.291601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.291601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.291601 (E_RNA)
where:
Base-Base interactions energy: -178.141
where: short stacking energy: -71.873
Base-Backbone interact. energy: 0.072
local terms energy: -83.222685
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -235.844737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.844737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.844737 (E_RNA)
where:
Base-Base interactions energy: -153.963
where: short stacking energy: -70.480
Base-Backbone interact. energy: -1.865
local terms energy: -80.016535
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -221.504076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.504076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.504076 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -65.812
Base-Backbone interact. energy: 2.536
local terms energy: -69.543865
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -12.813
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: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -202.932966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.932966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.932966 (E_RNA)
where:
Base-Base interactions energy: -129.361
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.041
local terms energy: -73.530482
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -8.554
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: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -183.185722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.185722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.185722 (E_RNA)
where:
Base-Base interactions energy: -121.341
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.122
local terms energy: -61.722388
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -106.743322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.743322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.743322 (E_RNA)
where:
Base-Base interactions energy: -48.618
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.036
local terms energy: -58.090115
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -96.733009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.733009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.733009 (E_RNA)
where:
Base-Base interactions energy: -34.554
where: short stacking energy: -20.157
Base-Backbone interact. energy: -0.166
local terms energy: -62.012765
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -83.111763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.111763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.111763 (E_RNA)
where:
Base-Base interactions energy: -27.006
where: short stacking energy: -21.166
Base-Backbone interact. energy: -0.050
local terms energy: -56.055571
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -0.731
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: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -79.761153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.761153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.761153 (E_RNA)
where:
Base-Base interactions energy: -29.251
where: short stacking energy: -25.090
Base-Backbone interact. energy: 0.009
local terms energy: -50.519133
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: 1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -254.512958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.512958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.512958 (E_RNA)
where:
Base-Base interactions energy: -173.752
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.146
local terms energy: -80.614742
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -259.117649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.117649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.117649 (E_RNA)
where:
Base-Base interactions energy: -179.062
where: short stacking energy: -76.739
Base-Backbone interact. energy: -0.434
local terms energy: -79.621779
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -234.476027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.476027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.476027 (E_RNA)
where:
Base-Base interactions energy: -150.350
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.164
local terms energy: -83.961618
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -15.494
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: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -228.933268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.933268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.933268 (E_RNA)
where:
Base-Base interactions energy: -149.506
where: short stacking energy: -63.780
Base-Backbone interact. energy: -0.966
local terms energy: -78.461632
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -193.350452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.350452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.350452 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -50.656
Base-Backbone interact. energy: -0.106
local terms energy: -66.594769
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -190.356595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.356595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.356595 (E_RNA)
where:
Base-Base interactions energy: -119.179
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.009
local terms energy: -71.168716
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -92.288249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.288249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.288249 (E_RNA)
where:
Base-Base interactions energy: -36.028
where: short stacking energy: -36.028
Base-Backbone interact. energy: 3.669
local terms energy: -59.929274
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -90.951454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951454 (E_RNA)
where:
Base-Base interactions energy: -32.341
where: short stacking energy: -33.403
Base-Backbone interact. energy: -0.495
local terms energy: -58.115520
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -8.365
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: 9, replica: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -79.367524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.367524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.367524 (E_RNA)
where:
Base-Base interactions energy: -28.348
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.396
local terms energy: -50.623635
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -81.168620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.168620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.168620 (E_RNA)
where:
Base-Base interactions energy: -22.196
where: short stacking energy: -22.196
Base-Backbone interact. energy: -0.103
local terms energy: -58.869860
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -5.616
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: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -248.008839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.008839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.008839 (E_RNA)
where:
Base-Base interactions energy: -172.929
where: short stacking energy: -70.276
Base-Backbone interact. energy: 0.805
local terms energy: -75.884963
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -248.334080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.334080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.334080 (E_RNA)
where:
Base-Base interactions energy: -180.213
where: short stacking energy: -72.301
Base-Backbone interact. energy: 0.717
local terms energy: -68.838307
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -226.897967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.897967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.897967 (E_RNA)
where:
Base-Base interactions energy: -155.892
where: short stacking energy: -72.957
Base-Backbone interact. energy: 0.196
local terms energy: -71.201584
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -10.324
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: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -242.248998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.248998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.248998 (E_RNA)
where:
Base-Base interactions energy: -159.207
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.384
local terms energy: -82.658745
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -21.388
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: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -191.391288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.391288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.391288 (E_RNA)
where:
Base-Base interactions energy: -115.576
where: short stacking energy: -60.256
Base-Backbone interact. energy: -2.225
local terms energy: -73.590362
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -14.238
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: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -193.179282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.179282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.179282 (E_RNA)
where:
Base-Base interactions energy: -123.571
where: short stacking energy: -51.232
Base-Backbone interact. energy: -0.007
local terms energy: -69.602206
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -93.417360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.417360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.417360 (E_RNA)
where:
Base-Base interactions energy: -36.456
where: short stacking energy: -36.456
Base-Backbone interact. energy: -0.498
local terms energy: -56.462853
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -5.387
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: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -88.020822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.020822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.020822 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.266
local terms energy: -56.404704
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -89.928984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.928984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.928984 (E_RNA)
where:
Base-Base interactions energy: -44.790
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.061
local terms energy: -45.077564
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -1.855
tors. eta vs tors. theta energy: -1.769
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: 420
Temperature: 1.350000
Total energy: -75.111345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.111345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.111345 (E_RNA)
where:
Base-Base interactions energy: -29.742
where: short stacking energy: -26.491
Base-Backbone interact. energy: 0.160
local terms energy: -45.528940
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: 3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -257.021757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.021757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.021757 (E_RNA)
where:
Base-Base interactions energy: -185.473
where: short stacking energy: -73.264
Base-Backbone interact. energy: -0.218
local terms energy: -71.330577
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -16.719
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: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -235.505573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.505573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.505573 (E_RNA)
where:
Base-Base interactions energy: -153.019
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.172
local terms energy: -82.315367
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -249.072736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.072736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.072736 (E_RNA)
where:
Base-Base interactions energy: -168.987
where: short stacking energy: -67.661
Base-Backbone interact. energy: -0.231
local terms energy: -79.854738
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -212.747604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.747604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.747604 (E_RNA)
where:
Base-Base interactions energy: -140.398
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.090
local terms energy: -72.259764
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -14.295
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: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -219.664589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.664589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.664589 (E_RNA)
where:
Base-Base interactions energy: -144.468
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.422
local terms energy: -74.774943
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -12.460
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: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -194.774368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.774368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.774368 (E_RNA)
where:
Base-Base interactions energy: -135.506
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.716
local terms energy: -58.552526
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -12.109
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: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -100.169618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.169618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.169618 (E_RNA)
where:
Base-Base interactions energy: -38.645
where: short stacking energy: -29.464
Base-Backbone interact. energy: -0.960
local terms energy: -60.565126
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -92.369343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.369343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.369343 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -35.194
Base-Backbone interact. energy: -0.093
local terms energy: -57.081684
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -85.747916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.747916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.747916 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -27.114
Base-Backbone interact. energy: -0.126
local terms energy: -50.435900
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -78.488049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.488049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.488049 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -27.260
Base-Backbone interact. energy: -0.110
local terms energy: -51.117752
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -251.638544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.638544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.638544 (E_RNA)
where:
Base-Base interactions energy: -178.036
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.275
local terms energy: -73.327603
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -237.569037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.569037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.569037 (E_RNA)
where:
Base-Base interactions energy: -158.690
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.397
local terms energy: -78.481731
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -211.045996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045996 (E_RNA)
where:
Base-Base interactions energy: -138.691
where: short stacking energy: -76.283
Base-Backbone interact. energy: -0.042
local terms energy: -72.312722
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -239.947312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.947312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.947312 (E_RNA)
where:
Base-Base interactions energy: -163.106
where: short stacking energy: -66.945
Base-Backbone interact. energy: -0.295
local terms energy: -76.545703
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -191.865034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.865034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.865034 (E_RNA)
where:
Base-Base interactions energy: -117.467
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.003
local terms energy: -74.394988
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -15.642
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: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -203.745837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.745837 (E_RNA)
where:
Base-Base interactions energy: -134.033
where: short stacking energy: -46.378
Base-Backbone interact. energy: -0.032
local terms energy: -69.680665
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -96.316736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.316736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.316736 (E_RNA)
where:
Base-Base interactions energy: -41.782
where: short stacking energy: -37.642
Base-Backbone interact. energy: 2.406
local terms energy: -56.940562
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -125.803334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.803334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.803334 (E_RNA)
where:
Base-Base interactions energy: -67.855
where: short stacking energy: -31.885
Base-Backbone interact. energy: -0.214
local terms energy: -57.734307
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -82.857013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.857013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.857013 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -32.482
Base-Backbone interact. energy: -0.321
local terms energy: -50.053636
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -80.630348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.630348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.630348 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.558
local terms energy: -47.119265
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: 1.465
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: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -252.378832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.378832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.378832 (E_RNA)
where:
Base-Base interactions energy: -173.560
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.216
local terms energy: -78.602557
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.752
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: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -234.637615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.637615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.637615 (E_RNA)
where:
Base-Base interactions energy: -154.272
where: short stacking energy: -65.140
Base-Backbone interact. energy: -0.346
local terms energy: -80.019598
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -205.669390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.669390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.669390 (E_RNA)
where:
Base-Base interactions energy: -130.091
where: short stacking energy: -68.377
Base-Backbone interact. energy: -0.630
local terms energy: -74.948107
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -236.292520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.292520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.292520 (E_RNA)
where:
Base-Base interactions energy: -159.502
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.108
local terms energy: -76.682298
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -193.117823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.117823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.117823 (E_RNA)
where:
Base-Base interactions energy: -124.097
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.299
local terms energy: -68.722357
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -220.542675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.542675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.542675 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -53.141
Base-Backbone interact. energy: -0.229
local terms energy: -73.494327
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -91.296386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296386 (E_RNA)
where:
Base-Base interactions energy: -31.534
where: short stacking energy: -31.534
Base-Backbone interact. energy: -0.155
local terms energy: -59.606854
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -5.230
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: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -158.889442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.889442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.889442 (E_RNA)
where:
Base-Base interactions energy: -102.746
where: short stacking energy: -51.800
Base-Backbone interact. energy: -0.202
local terms energy: -55.941522
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -89.496800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.496800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.496800 (E_RNA)
where:
Base-Base interactions energy: -34.745
where: short stacking energy: -32.820
Base-Backbone interact. energy: -0.113
local terms energy: -54.638541
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -9.035
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -83.677309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.677309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.677309 (E_RNA)
where:
Base-Base interactions energy: -21.213
where: short stacking energy: -19.951
Base-Backbone interact. energy: -0.029
local terms energy: -62.434700
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -3.569
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: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -244.862295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.862295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.862295 (E_RNA)
where:
Base-Base interactions energy: -167.109
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.107
local terms energy: -77.646013
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -15.854
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -250.397565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.397565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.397565 (E_RNA)
where:
Base-Base interactions energy: -172.356
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.193
local terms energy: -77.849048
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -235.003968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.003968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.003968 (E_RNA)
where:
Base-Base interactions energy: -163.691
where: short stacking energy: -78.858
Base-Backbone interact. energy: -0.281
local terms energy: -71.031973
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -9.553
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: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -212.840088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.840088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.840088 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.014
local terms energy: -84.251810
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.931
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: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -216.955571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.955571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.955571 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -74.921
Base-Backbone interact. energy: 0.233
local terms energy: -76.321227
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -17.599
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -177.359280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.359280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.359280 (E_RNA)
where:
Base-Base interactions energy: -111.998
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.008
local terms energy: -65.353947
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -1.800
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -182.535327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.535327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.535327 (E_RNA)
where:
Base-Base interactions energy: -115.981
where: short stacking energy: -56.936
Base-Backbone interact. energy: -0.609
local terms energy: -65.945100
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -107.169944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.169944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.169944 (E_RNA)
where:
Base-Base interactions energy: -52.398
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.229
local terms energy: -54.542764
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -82.272492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.272492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.272492 (E_RNA)
where:
Base-Base interactions energy: -25.266
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.108
local terms energy: -56.898229
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -86.949152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.949152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.949152 (E_RNA)
where:
Base-Base interactions energy: -36.082
where: short stacking energy: -36.082
Base-Backbone interact. energy: -0.229
local terms energy: -50.637763
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -242.472343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.472343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.472343 (E_RNA)
where:
Base-Base interactions energy: -159.202
where: short stacking energy: -75.581
Base-Backbone interact. energy: -0.016
local terms energy: -83.254742
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -12.206
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: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -238.284134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.284134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.284134 (E_RNA)
where:
Base-Base interactions energy: -165.613
where: short stacking energy: -69.445
Base-Backbone interact. energy: -0.908
local terms energy: -71.763331
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -17.766
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: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -255.452992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.452992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.452992 (E_RNA)
where:
Base-Base interactions energy: -179.109
where: short stacking energy: -74.185
Base-Backbone interact. energy: 1.188
local terms energy: -77.532428
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.885
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: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -237.122326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.122326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.122326 (E_RNA)
where:
Base-Base interactions energy: -154.262
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.716
local terms energy: -82.143885
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -196.267568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.267568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.267568 (E_RNA)
where:
Base-Base interactions energy: -125.459
where: short stacking energy: -68.858
Base-Backbone interact. energy: -0.029
local terms energy: -70.779918
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -170.287928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.287928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.287928 (E_RNA)
where:
Base-Base interactions energy: -94.523
where: short stacking energy: -53.379
Base-Backbone interact. energy: -0.147
local terms energy: -75.618616
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -153.142217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.142217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.142217 (E_RNA)
where:
Base-Base interactions energy: -90.549
where: short stacking energy: -38.751
Base-Backbone interact. energy: -0.418
local terms energy: -62.175629
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -14.697
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: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -85.537723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.537723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.537723 (E_RNA)
where:
Base-Base interactions energy: -29.359
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.149
local terms energy: -56.029982
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -6.520
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: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -81.641829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.641829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.641829 (E_RNA)
where:
Base-Base interactions energy: -36.710
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.107
local terms energy: -44.825534
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -2.342
tors. eta vs tors. theta energy: -8.456
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: 425
Temperature: 1.350000
Total energy: -83.981581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.981581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.981581 (E_RNA)
where:
Base-Base interactions energy: -29.335
where: short stacking energy: -27.942
Base-Backbone interact. energy: 0.230
local terms energy: -54.876693
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -235.620713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.620713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.620713 (E_RNA)
where:
Base-Base interactions energy: -157.821
where: short stacking energy: -62.536
Base-Backbone interact. energy: -0.154
local terms energy: -77.646454
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -16.194
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: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -250.279078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.279078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.279078 (E_RNA)
where:
Base-Base interactions energy: -174.230
where: short stacking energy: -73.809
Base-Backbone interact. energy: 1.812
local terms energy: -77.861204
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -18.299
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: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -249.111606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.111606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.111606 (E_RNA)
where:
Base-Base interactions energy: -173.217
where: short stacking energy: -76.071
Base-Backbone interact. energy: 0.053
local terms energy: -75.947593
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -12.258
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: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -231.674492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.674492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.674492 (E_RNA)
where:
Base-Base interactions energy: -162.145
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.251
local terms energy: -69.278498
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -196.787667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.787667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.787667 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.387
local terms energy: -74.082204
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -12.898
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: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -163.050485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.050485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.050485 (E_RNA)
where:
Base-Base interactions energy: -98.068
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.049
local terms energy: -64.933733
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -7.379
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: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -167.229938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.229938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.229938 (E_RNA)
where:
Base-Base interactions energy: -105.650
where: short stacking energy: -60.069
Base-Backbone interact. energy: 0.171
local terms energy: -61.750506
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -93.917283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.917283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.917283 (E_RNA)
where:
Base-Base interactions energy: -33.883
where: short stacking energy: -32.443
Base-Backbone interact. energy: -0.075
local terms energy: -59.959448
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -84.473160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.473160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.473160 (E_RNA)
where:
Base-Base interactions energy: -21.142
where: short stacking energy: -20.193
Base-Backbone interact. energy: -0.428
local terms energy: -62.902993
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -84.895576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.895576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.895576 (E_RNA)
where:
Base-Base interactions energy: -29.869
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.082
local terms energy: -54.944507
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -247.897049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.897049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.897049 (E_RNA)
where:
Base-Base interactions energy: -167.791
where: short stacking energy: -67.143
Base-Backbone interact. energy: 1.358
local terms energy: -81.464069
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -242.470391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.470391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.470391 (E_RNA)
where:
Base-Base interactions energy: -164.953
where: short stacking energy: -72.280
Base-Backbone interact. energy: 0.093
local terms energy: -77.610883
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -238.927706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.927706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.927706 (E_RNA)
where:
Base-Base interactions energy: -158.244
where: short stacking energy: -73.642
Base-Backbone interact. energy: -0.751
local terms energy: -79.932994
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -211.889790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.889790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.889790 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -65.759
Base-Backbone interact. energy: -0.344
local terms energy: -83.064600
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -226.976367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.976367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.976367 (E_RNA)
where:
Base-Base interactions energy: -167.197
where: short stacking energy: -65.698
Base-Backbone interact. energy: 1.406
local terms energy: -61.185393
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -161.184169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.184169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.184169 (E_RNA)
where:
Base-Base interactions energy: -96.141
where: short stacking energy: -49.715
Base-Backbone interact. energy: -0.186
local terms energy: -64.857166
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -7.258
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: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -158.574050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.574050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.574050 (E_RNA)
where:
Base-Base interactions energy: -97.773
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.602
local terms energy: -60.199098
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -9.153
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: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -110.975703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.975703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.975703 (E_RNA)
where:
Base-Base interactions energy: -52.825
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.203
local terms energy: -57.947710
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -96.417519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.417519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.417519 (E_RNA)
where:
Base-Base interactions energy: -42.130
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.049
local terms energy: -54.238394
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -11.891
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: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -91.461873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.461873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.461873 (E_RNA)
where:
Base-Base interactions energy: -44.968
where: short stacking energy: -34.405
Base-Backbone interact. energy: 1.210
local terms energy: -47.703993
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -243.398999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.398999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.398999 (E_RNA)
where:
Base-Base interactions energy: -161.539
where: short stacking energy: -71.970
Base-Backbone interact. energy: -0.228
local terms energy: -81.631912
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -227.970110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.970110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.970110 (E_RNA)
where:
Base-Base interactions energy: -155.607
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.357
local terms energy: -72.006126
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -217.456108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.456108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.456108 (E_RNA)
where:
Base-Base interactions energy: -128.606
where: short stacking energy: -66.112
Base-Backbone interact. energy: -0.381
local terms energy: -88.468949
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -229.793189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.793189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.793189 (E_RNA)
where:
Base-Base interactions energy: -150.647
where: short stacking energy: -72.765
Base-Backbone interact. energy: -0.460
local terms energy: -78.686429
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -20.449
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: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -226.522341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.522341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.522341 (E_RNA)
where:
Base-Base interactions energy: -151.672
where: short stacking energy: -70.736
Base-Backbone interact. energy: -0.117
local terms energy: -74.732941
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -12.555
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: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -172.124427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.124427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.124427 (E_RNA)
where:
Base-Base interactions energy: -102.530
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.783
local terms energy: -68.811619
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -154.284474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.284474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.284474 (E_RNA)
where:
Base-Base interactions energy: -90.518
where: short stacking energy: -44.287
Base-Backbone interact. energy: -0.076
local terms energy: -63.690959
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -91.015205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015205 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -31.866
Base-Backbone interact. energy: -0.102
local terms energy: -48.151548
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -3.707
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: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -90.515081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.515081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.515081 (E_RNA)
where:
Base-Base interactions energy: -30.063
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.074
local terms energy: -60.378330
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -92.092499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092499 (E_RNA)
where:
Base-Base interactions energy: -36.548
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.133
local terms energy: -55.411202
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -241.108409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.108409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.108409 (E_RNA)
where:
Base-Base interactions energy: -166.536
where: short stacking energy: -71.105
Base-Backbone interact. energy: -0.152
local terms energy: -74.420430
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -215.351936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.351936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351936 (E_RNA)
where:
Base-Base interactions energy: -140.605
where: short stacking energy: -69.029
Base-Backbone interact. energy: -0.174
local terms energy: -74.573275
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -227.374872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.374872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.374872 (E_RNA)
where:
Base-Base interactions energy: -153.101
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.486
local terms energy: -73.787542
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -229.102722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.102722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.102722 (E_RNA)
where:
Base-Base interactions energy: -158.582
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.147
local terms energy: -70.373858
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -230.267257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.267257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.267257 (E_RNA)
where:
Base-Base interactions energy: -156.277
where: short stacking energy: -74.194
Base-Backbone interact. energy: -0.869
local terms energy: -73.121908
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -171.375843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.375843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.375843 (E_RNA)
where:
Base-Base interactions energy: -103.404
where: short stacking energy: -51.885
Base-Backbone interact. energy: -0.286
local terms energy: -67.684896
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -90.371048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.371048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.371048 (E_RNA)
where:
Base-Base interactions energy: -31.898
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.309
local terms energy: -58.164040
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -92.508198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.508198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.508198 (E_RNA)
where:
Base-Base interactions energy: -37.429
where: short stacking energy: -37.412
Base-Backbone interact. energy: -0.009
local terms energy: -55.070531
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -10.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -118.254558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.254558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.254558 (E_RNA)
where:
Base-Base interactions energy: -59.254
where: short stacking energy: -39.373
Base-Backbone interact. energy: -0.136
local terms energy: -58.864611
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -10.072
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: 429
Temperature: 1.350000
Total energy: -93.586519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.586519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.586519 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -41.696
Base-Backbone interact. energy: -0.167
local terms energy: -51.314379
where:
bonds (distance) C4'-P energy: -8.473
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -224.985160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.985160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.985160 (E_RNA)
where:
Base-Base interactions energy: -138.624
where: short stacking energy: -79.948
Base-Backbone interact. energy: -0.012
local terms energy: -86.349188
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -25.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -234.551272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.551272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.551272 (E_RNA)
where:
Base-Base interactions energy: -148.083
where: short stacking energy: -63.415
Base-Backbone interact. energy: -0.312
local terms energy: -86.157010
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -242.439807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.439807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.439807 (E_RNA)
where:
Base-Base interactions energy: -165.550
where: short stacking energy: -69.178
Base-Backbone interact. energy: 1.330
local terms energy: -78.219605
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -223.479667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.479667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.479667 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.135
local terms energy: -77.176908
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -220.418151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.418151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.418151 (E_RNA)
where:
Base-Base interactions energy: -144.536
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.594
local terms energy: -75.288359
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -167.924499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.924499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.924499 (E_RNA)
where:
Base-Base interactions energy: -112.858
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.403
local terms energy: -54.663753
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -9.144
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: 430
Temperature: 1.200000
Total energy: -100.451893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.451893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.451893 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -39.012
Base-Backbone interact. energy: -0.073
local terms energy: -61.366773
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -97.543058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543058 (E_RNA)
where:
Base-Base interactions energy: -37.313
where: short stacking energy: -37.513
Base-Backbone interact. energy: -0.652
local terms energy: -59.577492
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -4.702
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: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -84.928865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.928865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.928865 (E_RNA)
where:
Base-Base interactions energy: -25.133
where: short stacking energy: -24.070
Base-Backbone interact. energy: -0.246
local terms energy: -59.550251
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -1.960
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: 430
Temperature: 1.350000
Total energy: -95.571322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.571322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.571322 (E_RNA)
where:
Base-Base interactions energy: -39.498
where: short stacking energy: -33.211
Base-Backbone interact. energy: -0.010
local terms energy: -56.063821
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -219.743319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.743319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.743319 (E_RNA)
where:
Base-Base interactions energy: -136.797
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.013
local terms energy: -82.933143
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -244.654363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.654363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.654363 (E_RNA)
where:
Base-Base interactions energy: -159.088
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.758
local terms energy: -84.808940
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -248.806542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.806542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.806542 (E_RNA)
where:
Base-Base interactions energy: -166.483
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.150
local terms energy: -82.173185
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -221.889724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.889724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.889724 (E_RNA)
where:
Base-Base interactions energy: -145.299
where: short stacking energy: -70.273
Base-Backbone interact. energy: -0.089
local terms energy: -76.501780
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -8.319
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: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -226.929123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.929123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.929123 (E_RNA)
where:
Base-Base interactions energy: -150.252
where: short stacking energy: -62.855
Base-Backbone interact. energy: -0.293
local terms energy: -76.383771
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -169.032438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.032438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.032438 (E_RNA)
where:
Base-Base interactions energy: -105.412
where: short stacking energy: -46.683
Base-Backbone interact. energy: -0.560
local terms energy: -63.060944
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -103.288499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.288499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.288499 (E_RNA)
where:
Base-Base interactions energy: -42.109
where: short stacking energy: -36.267
Base-Backbone interact. energy: -0.038
local terms energy: -61.141925
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -100.874274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.874274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.874274 (E_RNA)
where:
Base-Base interactions energy: -41.014
where: short stacking energy: -39.504
Base-Backbone interact. energy: -0.094
local terms energy: -59.766000
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -9.188
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: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -91.165574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.165574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.165574 (E_RNA)
where:
Base-Base interactions energy: -35.061
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.148
local terms energy: -55.956638
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -79.448008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.448008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.448008 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -17.942
Base-Backbone interact. energy: -0.019
local terms energy: -42.331997
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: 1.458
tors. eta vs tors. theta energy: 2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -244.378090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.378090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.378090 (E_RNA)
where:
Base-Base interactions energy: -161.134
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.423
local terms energy: -82.820873
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -222.221212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.221212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.221212 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -83.007
Base-Backbone interact. energy: -0.055
local terms energy: -79.826272
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -246.955543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.955543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.955543 (E_RNA)
where:
Base-Base interactions energy: -169.543
where: short stacking energy: -74.571
Base-Backbone interact. energy: -1.453
local terms energy: -75.959691
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -227.378379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.378379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.378379 (E_RNA)
where:
Base-Base interactions energy: -147.970
where: short stacking energy: -62.744
Base-Backbone interact. energy: 0.133
local terms energy: -79.541725
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -221.862983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.862983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.862983 (E_RNA)
where:
Base-Base interactions energy: -155.077
where: short stacking energy: -68.892
Base-Backbone interact. energy: -0.461
local terms energy: -66.325182
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -17.791
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: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -165.011979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.011979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.011979 (E_RNA)
where:
Base-Base interactions energy: -102.806
where: short stacking energy: -55.072
Base-Backbone interact. energy: 0.045
local terms energy: -62.251094
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -110.660090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.660090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.660090 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -43.723
Base-Backbone interact. energy: -0.121
local terms energy: -66.311387
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -85.236286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.236286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.236286 (E_RNA)
where:
Base-Base interactions energy: -27.042
where: short stacking energy: -27.042
Base-Backbone interact. energy: -0.302
local terms energy: -57.892836
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -89.574769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574769 (E_RNA)
where:
Base-Base interactions energy: -41.424
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.399
local terms energy: -47.751621
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -3.099
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: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -78.237938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.237938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.237938 (E_RNA)
where:
Base-Base interactions energy: -27.032
where: short stacking energy: -24.918
Base-Backbone interact. energy: -1.205
local terms energy: -50.000700
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -5.649
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -240.587084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.587084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.587084 (E_RNA)
where:
Base-Base interactions energy: -155.317
where: short stacking energy: -72.681
Base-Backbone interact. energy: -1.162
local terms energy: -84.108133
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -250.170415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.170415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.170415 (E_RNA)
where:
Base-Base interactions energy: -168.212
where: short stacking energy: -76.045
Base-Backbone interact. energy: 0.088
local terms energy: -82.046819
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -13.207
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: 3, replica: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -210.376140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.376140 (E_RNA)
where:
Base-Base interactions energy: -144.136
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.725
local terms energy: -65.515979
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -8.667
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -228.414340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.414340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.414340 (E_RNA)
where:
Base-Base interactions energy: -155.546
where: short stacking energy: -56.038
Base-Backbone interact. energy: -0.177
local terms energy: -72.690693
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -230.150983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.150983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.150983 (E_RNA)
where:
Base-Base interactions energy: -156.928
where: short stacking energy: -68.608
Base-Backbone interact. energy: -0.202
local terms energy: -73.021108
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -169.927368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.927368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.927368 (E_RNA)
where:
Base-Base interactions energy: -104.744
where: short stacking energy: -51.482
Base-Backbone interact. energy: 1.336
local terms energy: -66.519447
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -117.468653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.468653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.468653 (E_RNA)
where:
Base-Base interactions energy: -49.985
where: short stacking energy: -44.489
Base-Backbone interact. energy: 0.394
local terms energy: -67.877392
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -12.604
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: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -101.264559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.264559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.264559 (E_RNA)
where:
Base-Base interactions energy: -50.997
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.877
local terms energy: -49.389867
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -83.726268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.726268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.726268 (E_RNA)
where:
Base-Base interactions energy: -27.673
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.003
local terms energy: -56.050120
where:
bonds (distance) C4'-P energy: -6.826
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -4.539
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: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -86.046285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.046285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.046285 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -27.849
Base-Backbone interact. energy: -0.153
local terms energy: -57.992948
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -265.542731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.542731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.542731 (E_RNA)
where:
Base-Base interactions energy: -183.665
where: short stacking energy: -77.165
Base-Backbone interact. energy: 0.592
local terms energy: -82.470357
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -16.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -247.285459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.285459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.285459 (E_RNA)
where:
Base-Base interactions energy: -165.873
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.305
local terms energy: -81.106812
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -234.719141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.719141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.719141 (E_RNA)
where:
Base-Base interactions energy: -150.684
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.695
local terms energy: -83.340473
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -22.080
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: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -197.992602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.992602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.992602 (E_RNA)
where:
Base-Base interactions energy: -130.041
where: short stacking energy: -53.164
Base-Backbone interact. energy: -0.718
local terms energy: -67.233847
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -222.113999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.113999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.113999 (E_RNA)
where:
Base-Base interactions energy: -144.491
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.288
local terms energy: -77.334556
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -165.250822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.250822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.250822 (E_RNA)
where:
Base-Base interactions energy: -108.022
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.070
local terms energy: -57.158591
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -96.119747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.119747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.119747 (E_RNA)
where:
Base-Base interactions energy: -40.421
where: short stacking energy: -39.736
Base-Backbone interact. energy: -1.458
local terms energy: -54.240023
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -95.153384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.153384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.153384 (E_RNA)
where:
Base-Base interactions energy: -32.978
where: short stacking energy: -32.840
Base-Backbone interact. energy: -0.105
local terms energy: -62.070191
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -2.921
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: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -88.260461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.260461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.260461 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -22.747
Base-Backbone interact. energy: -0.127
local terms energy: -56.814751
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -8.208
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: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -92.825971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.825971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.825971 (E_RNA)
where:
Base-Base interactions energy: -36.020
where: short stacking energy: -36.020
Base-Backbone interact. energy: 0.970
local terms energy: -57.775501
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -252.874443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.874443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.874443 (E_RNA)
where:
Base-Base interactions energy: -181.108
where: short stacking energy: -78.146
Base-Backbone interact. energy: -0.100
local terms energy: -71.666410
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -236.877852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.877852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.877852 (E_RNA)
where:
Base-Base interactions energy: -160.226
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.314
local terms energy: -76.338048
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -237.163592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.163592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.163592 (E_RNA)
where:
Base-Base interactions energy: -156.995
where: short stacking energy: -62.793
Base-Backbone interact. energy: -0.924
local terms energy: -79.243845
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -230.457858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.457858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.457858 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.794
local terms energy: -79.250861
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -199.331588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.331588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.331588 (E_RNA)
where:
Base-Base interactions energy: -127.643
where: short stacking energy: -64.298
Base-Backbone interact. energy: -0.692
local terms energy: -70.996564
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -161.477420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.477420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.477420 (E_RNA)
where:
Base-Base interactions energy: -90.043
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.068
local terms energy: -71.366229
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -9.794
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: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -132.857082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.857082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.857082 (E_RNA)
where:
Base-Base interactions energy: -75.096
where: short stacking energy: -33.032
Base-Backbone interact. energy: -0.170
local terms energy: -57.590792
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -97.878645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.878645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.878645 (E_RNA)
where:
Base-Base interactions energy: -43.729
where: short stacking energy: -31.773
Base-Backbone interact. energy: -0.388
local terms energy: -53.761201
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -89.269937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.269937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.269937 (E_RNA)
where:
Base-Base interactions energy: -28.737
where: short stacking energy: -24.835
Base-Backbone interact. energy: -0.492
local terms energy: -60.040907
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -83.808980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.808980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.808980 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -30.071
Base-Backbone interact. energy: 0.439
local terms energy: -54.177566
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -254.253440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.253440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.253440 (E_RNA)
where:
Base-Base interactions energy: -177.269
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.090
local terms energy: -76.894097
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -236.762013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.762013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.762013 (E_RNA)
where:
Base-Base interactions energy: -164.381
where: short stacking energy: -62.055
Base-Backbone interact. energy: -0.296
local terms energy: -72.084780
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.268
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: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -239.807926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.807926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.807926 (E_RNA)
where:
Base-Base interactions energy: -163.581
where: short stacking energy: -74.360
Base-Backbone interact. energy: -0.345
local terms energy: -75.882168
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -12.434
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: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -237.088247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.088247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.088247 (E_RNA)
where:
Base-Base interactions energy: -153.794
where: short stacking energy: -72.111
Base-Backbone interact. energy: -1.368
local terms energy: -81.925597
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -182.347362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.347362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.347362 (E_RNA)
where:
Base-Base interactions energy: -111.645
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.074
local terms energy: -70.628486
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -185.194386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.194386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.194386 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.052
local terms energy: -68.311787
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -158.385770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.385770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.385770 (E_RNA)
where:
Base-Base interactions energy: -102.678
where: short stacking energy: -44.261
Base-Backbone interact. energy: 0.557
local terms energy: -56.265162
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -121.543715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.543715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.543715 (E_RNA)
where:
Base-Base interactions energy: -65.898
where: short stacking energy: -38.782
Base-Backbone interact. energy: -0.133
local terms energy: -55.512566
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -87.968477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968477 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.432
local terms energy: -56.118241
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -76.854640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.854640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.854640 (E_RNA)
where:
Base-Base interactions energy: -27.180
where: short stacking energy: -24.729
Base-Backbone interact. energy: 0.126
local terms energy: -49.800930
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -9.713
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: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -251.352935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.352935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.352935 (E_RNA)
where:
Base-Base interactions energy: -175.077
where: short stacking energy: -78.240
Base-Backbone interact. energy: -0.691
local terms energy: -75.584630
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -240.335704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.335704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.335704 (E_RNA)
where:
Base-Base interactions energy: -160.426
where: short stacking energy: -63.622
Base-Backbone interact. energy: -0.182
local terms energy: -79.727537
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -234.394268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.394268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.394268 (E_RNA)
where:
Base-Base interactions energy: -161.563
where: short stacking energy: -73.201
Base-Backbone interact. energy: -0.118
local terms energy: -72.713507
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -228.686605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.686605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.686605 (E_RNA)
where:
Base-Base interactions energy: -159.191
where: short stacking energy: -71.465
Base-Backbone interact. energy: 0.235
local terms energy: -69.730818
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -188.619139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.619139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.619139 (E_RNA)
where:
Base-Base interactions energy: -112.736
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.078
local terms energy: -75.805112
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -198.033280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.033280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.033280 (E_RNA)
where:
Base-Base interactions energy: -122.479
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.258
local terms energy: -75.296771
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -171.064433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.064433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.064433 (E_RNA)
where:
Base-Base interactions energy: -106.030
where: short stacking energy: -58.389
Base-Backbone interact. energy: -0.019
local terms energy: -65.014925
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -90.885078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.885078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.885078 (E_RNA)
where:
Base-Base interactions energy: -34.778
where: short stacking energy: -34.778
Base-Backbone interact. energy: -0.858
local terms energy: -55.249224
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -83.273069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.273069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.273069 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -22.389
Base-Backbone interact. energy: -0.398
local terms energy: -50.310611
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -3.117
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -84.952380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.952380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.952380 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -33.946
Base-Backbone interact. energy: 2.065
local terms energy: -52.576716
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -258.862746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.862746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.862746 (E_RNA)
where:
Base-Base interactions energy: -180.180
where: short stacking energy: -70.972
Base-Backbone interact. energy: -0.132
local terms energy: -78.550494
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -250.557105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.557105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.557105 (E_RNA)
where:
Base-Base interactions energy: -179.217
where: short stacking energy: -73.332
Base-Backbone interact. energy: -0.109
local terms energy: -71.230881
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -235.034381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.034381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.034381 (E_RNA)
where:
Base-Base interactions energy: -160.109
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.410
local terms energy: -74.515792
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -19.357
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: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -239.473061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.473061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.473061 (E_RNA)
where:
Base-Base interactions energy: -173.873
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.290
local terms energy: -65.310552
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -14.228
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: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -195.069767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.069767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.069767 (E_RNA)
where:
Base-Base interactions energy: -118.203
where: short stacking energy: -54.243
Base-Backbone interact. energy: -0.070
local terms energy: -76.796587
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -165.872993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.872993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.872993 (E_RNA)
where:
Base-Base interactions energy: -107.057
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.167
local terms energy: -58.648976
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -172.390777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.390777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.390777 (E_RNA)
where:
Base-Base interactions energy: -100.728
where: short stacking energy: -47.579
Base-Backbone interact. energy: -1.553
local terms energy: -70.109655
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -106.296425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.296425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.296425 (E_RNA)
where:
Base-Base interactions energy: -51.105
where: short stacking energy: -30.616
Base-Backbone interact. energy: 0.840
local terms energy: -56.031338
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -6.661
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: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -88.618398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.618398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.618398 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -23.191
Base-Backbone interact. energy: 1.998
local terms energy: -57.202703
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -85.362984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.362984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.362984 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -25.485
Base-Backbone interact. energy: 0.048
local terms energy: -55.927852
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -6.634
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: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -252.172576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.172576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.172576 (E_RNA)
where:
Base-Base interactions energy: -172.850
where: short stacking energy: -75.905
Base-Backbone interact. energy: -0.334
local terms energy: -78.988965
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -17.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -232.363031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.363031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.363031 (E_RNA)
where:
Base-Base interactions energy: -149.696
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.372
local terms energy: -82.295841
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -246.635369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.635369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.635369 (E_RNA)
where:
Base-Base interactions energy: -165.591
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.253
local terms energy: -80.790486
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -233.234475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.234475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.234475 (E_RNA)
where:
Base-Base interactions energy: -159.769
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.287
local terms energy: -73.178434
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -196.568380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.568380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.568380 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.171
local terms energy: -73.484133
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -183.501644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.501644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.501644 (E_RNA)
where:
Base-Base interactions energy: -114.909
where: short stacking energy: -46.238
Base-Backbone interact. energy: -0.471
local terms energy: -68.121774
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -171.133852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.133852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.133852 (E_RNA)
where:
Base-Base interactions energy: -111.045
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.924
local terms energy: -59.165065
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -4.071
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: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -102.557759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.557759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.557759 (E_RNA)
where:
Base-Base interactions energy: -43.980
where: short stacking energy: -42.025
Base-Backbone interact. energy: -0.238
local terms energy: -58.339535
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -80.547760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.547760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.547760 (E_RNA)
where:
Base-Base interactions energy: -27.474
where: short stacking energy: -20.933
Base-Backbone interact. energy: -0.204
local terms energy: -52.869307
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: 0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -92.843749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.843749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.843749 (E_RNA)
where:
Base-Base interactions energy: -33.255
where: short stacking energy: -24.992
Base-Backbone interact. energy: -0.150
local terms energy: -59.439321
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -241.435955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.435955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.435955 (E_RNA)
where:
Base-Base interactions energy: -161.995
where: short stacking energy: -81.229
Base-Backbone interact. energy: -0.475
local terms energy: -78.966327
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -254.599845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.599845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.599845 (E_RNA)
where:
Base-Base interactions energy: -175.502
where: short stacking energy: -79.170
Base-Backbone interact. energy: -0.052
local terms energy: -79.045232
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -17.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -230.871497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.871497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.871497 (E_RNA)
where:
Base-Base interactions energy: -154.375
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.245
local terms energy: -76.252436
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -18.614
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: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -247.971784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.971784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.971784 (E_RNA)
where:
Base-Base interactions energy: -177.325
where: short stacking energy: -65.585
Base-Backbone interact. energy: -0.243
local terms energy: -70.404076
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -191.828447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.828447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.828447 (E_RNA)
where:
Base-Base interactions energy: -126.881
where: short stacking energy: -63.152
Base-Backbone interact. energy: -0.491
local terms energy: -64.456664
where:
bonds (distance) C4'-P energy: -4.187
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -181.352130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.352130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.352130 (E_RNA)
where:
Base-Base interactions energy: -117.045
where: short stacking energy: -69.491
Base-Backbone interact. energy: -0.634
local terms energy: -63.672933
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -160.438064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.438064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.438064 (E_RNA)
where:
Base-Base interactions energy: -102.981
where: short stacking energy: -50.290
Base-Backbone interact. energy: -0.468
local terms energy: -56.988284
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -12.628
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: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -96.279313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.279313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.279313 (E_RNA)
where:
Base-Base interactions energy: -41.437
where: short stacking energy: -40.944
Base-Backbone interact. energy: -0.187
local terms energy: -54.655458
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -86.121863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.121863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.121863 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -34.631
Base-Backbone interact. energy: -0.346
local terms energy: -47.606405
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -8.735
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: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -78.516218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.516218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.516218 (E_RNA)
where:
Base-Base interactions energy: -24.524
where: short stacking energy: -21.904
Base-Backbone interact. energy: 0.205
local terms energy: -54.197277
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -1.292
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -240.888793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.888793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.888793 (E_RNA)
where:
Base-Base interactions energy: -165.637
where: short stacking energy: -78.090
Base-Backbone interact. energy: -0.500
local terms energy: -74.752348
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -237.910952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.910952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.910952 (E_RNA)
where:
Base-Base interactions energy: -164.039
where: short stacking energy: -73.040
Base-Backbone interact. energy: 0.881
local terms energy: -74.752773
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -249.413712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.413712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.413712 (E_RNA)
where:
Base-Base interactions energy: -175.155
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.307
local terms energy: -73.951085
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.905
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: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -228.173743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.173743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.173743 (E_RNA)
where:
Base-Base interactions energy: -151.324
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.547
local terms energy: -76.303448
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.698
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: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -207.917425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.917425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.917425 (E_RNA)
where:
Base-Base interactions energy: -134.556
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.052
local terms energy: -73.309650
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -14.319
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: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -161.671221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.671221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.671221 (E_RNA)
where:
Base-Base interactions energy: -98.231
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.162
local terms energy: -63.278576
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -164.086937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.086937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.086937 (E_RNA)
where:
Base-Base interactions energy: -97.026
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.872
local terms energy: -66.189217
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -11.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -102.989434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.989434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.989434 (E_RNA)
where:
Base-Base interactions energy: -48.489
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.164
local terms energy: -54.336117
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -83.290993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.290993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.290993 (E_RNA)
where:
Base-Base interactions energy: -32.819
where: short stacking energy: -15.662
Base-Backbone interact. energy: -0.221
local terms energy: -50.250869
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -77.927369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.927369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.927369 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -27.804
Base-Backbone interact. energy: -0.490
local terms energy: -42.845469
where:
bonds (distance) C4'-P energy: -7.248
bonds (distance) P-C4' energy: -9.966
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -241.329174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.329174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.329174 (E_RNA)
where:
Base-Base interactions energy: -160.192
where: short stacking energy: -80.625
Base-Backbone interact. energy: 0.073
local terms energy: -81.210325
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -10.620
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: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -243.737618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.737618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.737618 (E_RNA)
where:
Base-Base interactions energy: -168.442
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.140
local terms energy: -75.155272
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -237.560983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.560983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.560983 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.333
local terms energy: -70.849049
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -240.016564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.016564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.016564 (E_RNA)
where:
Base-Base interactions energy: -164.394
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.491
local terms energy: -75.131340
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -217.031250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.031250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.031250 (E_RNA)
where:
Base-Base interactions energy: -141.085
where: short stacking energy: -77.943
Base-Backbone interact. energy: -0.064
local terms energy: -75.881492
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -10.482
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: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -161.815127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.815127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.815127 (E_RNA)
where:
Base-Base interactions energy: -96.002
where: short stacking energy: -52.640
Base-Backbone interact. energy: -0.045
local terms energy: -65.767992
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -95.866273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866273 (E_RNA)
where:
Base-Base interactions energy: -40.841
where: short stacking energy: -23.897
Base-Backbone interact. energy: -0.188
local terms energy: -54.837300
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -7.439
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: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -146.617705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.617705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.617705 (E_RNA)
where:
Base-Base interactions energy: -83.628
where: short stacking energy: -47.214
Base-Backbone interact. energy: -0.075
local terms energy: -62.914727
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -87.448919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.448919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.448919 (E_RNA)
where:
Base-Base interactions energy: -39.422
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.189
local terms energy: -47.837656
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -12.378
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: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -86.339358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.339358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.339358 (E_RNA)
where:
Base-Base interactions energy: -34.239
where: short stacking energy: -29.343
Base-Backbone interact. energy: 1.955
local terms energy: -54.055102
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -251.435833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.435833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.435833 (E_RNA)
where:
Base-Base interactions energy: -169.515
where: short stacking energy: -74.982
Base-Backbone interact. energy: -0.303
local terms energy: -81.617990
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -243.381820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.381820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.381820 (E_RNA)
where:
Base-Base interactions energy: -168.651
where: short stacking energy: -68.594
Base-Backbone interact. energy: -0.273
local terms energy: -74.458180
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -247.612993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.612993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.612993 (E_RNA)
where:
Base-Base interactions energy: -170.007
where: short stacking energy: -73.693
Base-Backbone interact. energy: -0.225
local terms energy: -77.381177
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -18.026
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: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -224.477998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477998 (E_RNA)
where:
Base-Base interactions energy: -149.853
where: short stacking energy: -71.977
Base-Backbone interact. energy: 0.444
local terms energy: -75.069155
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -12.650
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: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -186.350860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.350860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.350860 (E_RNA)
where:
Base-Base interactions energy: -115.324
where: short stacking energy: -55.595
Base-Backbone interact. energy: -0.144
local terms energy: -70.882871
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.678
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: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -150.018074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.018074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.018074 (E_RNA)
where:
Base-Base interactions energy: -79.676
where: short stacking energy: -43.726
Base-Backbone interact. energy: 1.529
local terms energy: -71.871257
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -9.530
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: 443
Temperature: 1.200000
Total energy: -94.539032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.539032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.539032 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -28.611
Base-Backbone interact. energy: -0.157
local terms energy: -62.481785
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -4.743
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: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -104.543530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.543530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.543530 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -39.364
Base-Backbone interact. energy: -0.161
local terms energy: -63.802875
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -134.802930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.802930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.802930 (E_RNA)
where:
Base-Base interactions energy: -74.982
where: short stacking energy: -33.953
Base-Backbone interact. energy: -0.113
local terms energy: -59.707703
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -79.609356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.609356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.609356 (E_RNA)
where:
Base-Base interactions energy: -23.202
where: short stacking energy: -23.202
Base-Backbone interact. energy: -0.185
local terms energy: -56.222836
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -10.330
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: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -244.057954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.057954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.057954 (E_RNA)
where:
Base-Base interactions energy: -160.151
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.234
local terms energy: -83.672810
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -20.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -237.533520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.533520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.533520 (E_RNA)
where:
Base-Base interactions energy: -156.785
where: short stacking energy: -69.371
Base-Backbone interact. energy: -0.490
local terms energy: -80.258551
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -18.923
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: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -248.136661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.136661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.136661 (E_RNA)
where:
Base-Base interactions energy: -169.813
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.185
local terms energy: -78.138653
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -222.196944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.196944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.196944 (E_RNA)
where:
Base-Base interactions energy: -143.179
where: short stacking energy: -66.353
Base-Backbone interact. energy: -1.594
local terms energy: -77.424327
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -188.656259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.656259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.656259 (E_RNA)
where:
Base-Base interactions energy: -111.187
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.127
local terms energy: -77.342351
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -18.843
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: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -123.341469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.341469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.341469 (E_RNA)
where:
Base-Base interactions energy: -66.790
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.003
local terms energy: -56.548156
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -96.730544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.730544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.730544 (E_RNA)
where:
Base-Base interactions energy: -42.762
where: short stacking energy: -34.752
Base-Backbone interact. energy: -0.047
local terms energy: -53.921438
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -4.421
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: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -95.071657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.071657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.071657 (E_RNA)
where:
Base-Base interactions energy: -32.648
where: short stacking energy: -30.282
Base-Backbone interact. energy: -1.816
local terms energy: -60.607361
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.384
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: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -99.186808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.186808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.186808 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -33.926
Base-Backbone interact. energy: -1.329
local terms energy: -60.712158
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -87.781777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.781777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.781777 (E_RNA)
where:
Base-Base interactions energy: -40.479
where: short stacking energy: -19.022
Base-Backbone interact. energy: -0.123
local terms energy: -47.179612
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: 2.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -246.675299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.675299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.675299 (E_RNA)
where:
Base-Base interactions energy: -164.229
where: short stacking energy: -70.786
Base-Backbone interact. energy: 0.045
local terms energy: -82.491679
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -14.213
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: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -236.791589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.791589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.791589 (E_RNA)
where:
Base-Base interactions energy: -159.560
where: short stacking energy: -73.342
Base-Backbone interact. energy: -1.562
local terms energy: -75.669162
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -15.258
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: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -237.856051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.856051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.856051 (E_RNA)
where:
Base-Base interactions energy: -167.876
where: short stacking energy: -71.733
Base-Backbone interact. energy: -1.320
local terms energy: -68.660303
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -221.774990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.774990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.774990 (E_RNA)
where:
Base-Base interactions energy: -150.658
where: short stacking energy: -71.612
Base-Backbone interact. energy: -1.246
local terms energy: -69.871119
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -7.932
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -200.880966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.880966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.880966 (E_RNA)
where:
Base-Base interactions energy: -122.441
where: short stacking energy: -61.476
Base-Backbone interact. energy: -1.244
local terms energy: -77.195449
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -97.931493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.931493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.931493 (E_RNA)
where:
Base-Base interactions energy: -45.800
where: short stacking energy: -41.755
Base-Backbone interact. energy: -0.851
local terms energy: -51.279798
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -96.198967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.198967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.198967 (E_RNA)
where:
Base-Base interactions energy: -36.224
where: short stacking energy: -33.518
Base-Backbone interact. energy: 0.087
local terms energy: -60.062383
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -11.867
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: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -85.414806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.414806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.414806 (E_RNA)
where:
Base-Base interactions energy: -28.588
where: short stacking energy: -22.296
Base-Backbone interact. energy: -1.712
local terms energy: -55.115412
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -85.573787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.573787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.573787 (E_RNA)
where:
Base-Base interactions energy: -36.089
where: short stacking energy: -17.356
Base-Backbone interact. energy: -0.096
local terms energy: -49.389076
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -82.704221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.704221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.704221 (E_RNA)
where:
Base-Base interactions energy: -36.518
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.029
local terms energy: -46.157444
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -247.597288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.597288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.597288 (E_RNA)
where:
Base-Base interactions energy: -163.336
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.275
local terms energy: -83.986108
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -241.155193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.155193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.155193 (E_RNA)
where:
Base-Base interactions energy: -176.622
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.174
local terms energy: -64.358933
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -11.216
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: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -236.124129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.124129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.124129 (E_RNA)
where:
Base-Base interactions energy: -161.697
where: short stacking energy: -61.730
Base-Backbone interact. energy: 0.911
local terms energy: -75.338329
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -219.340996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.340996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.340996 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -53.234
Base-Backbone interact. energy: -0.141
local terms energy: -65.843397
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -171.565768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.565768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.565768 (E_RNA)
where:
Base-Base interactions energy: -100.547
where: short stacking energy: -50.400
Base-Backbone interact. energy: 0.223
local terms energy: -71.241508
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.978
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -102.644907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.644907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.644907 (E_RNA)
where:
Base-Base interactions energy: -40.771
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.049
local terms energy: -61.825659
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -113.132468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.132468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.132468 (E_RNA)
where:
Base-Base interactions energy: -46.600
where: short stacking energy: -46.600
Base-Backbone interact. energy: -0.004
local terms energy: -66.528294
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -93.306446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.306446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.306446 (E_RNA)
where:
Base-Base interactions energy: -43.003
where: short stacking energy: -41.370
Base-Backbone interact. energy: -0.877
local terms energy: -49.426645
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -77.278645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.278645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.278645 (E_RNA)
where:
Base-Base interactions energy: -24.171
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.113
local terms energy: -52.994316
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -11.374
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: 10, replica: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -93.031595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.031595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.031595 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -24.490
Base-Backbone interact. energy: -0.292
local terms energy: -57.386595
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -249.076812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.076812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.076812 (E_RNA)
where:
Base-Base interactions energy: -171.256
where: short stacking energy: -81.849
Base-Backbone interact. energy: -0.618
local terms energy: -77.203294
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -236.094586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.094586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.094586 (E_RNA)
where:
Base-Base interactions energy: -158.697
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.247
local terms energy: -77.149957
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -235.582776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.582776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.582776 (E_RNA)
where:
Base-Base interactions energy: -151.182
where: short stacking energy: -63.222
Base-Backbone interact. energy: 0.194
local terms energy: -84.594418
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -231.124903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.124903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.124903 (E_RNA)
where:
Base-Base interactions energy: -155.381
where: short stacking energy: -64.050
Base-Backbone interact. energy: -1.071
local terms energy: -74.673597
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -10.294
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: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -171.536006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.536006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.536006 (E_RNA)
where:
Base-Base interactions energy: -112.908
where: short stacking energy: -46.117
Base-Backbone interact. energy: -0.437
local terms energy: -58.190915
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -8.395
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: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -105.008325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.008325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.008325 (E_RNA)
where:
Base-Base interactions energy: -46.949
where: short stacking energy: -41.722
Base-Backbone interact. energy: -0.658
local terms energy: -57.402172
where:
bonds (distance) C4'-P energy: -5.783
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -115.836563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.836563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.836563 (E_RNA)
where:
Base-Base interactions energy: -47.633
where: short stacking energy: -46.896
Base-Backbone interact. energy: -0.406
local terms energy: -67.797429
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -83.045871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.045871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.045871 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -25.865
Base-Backbone interact. energy: -1.642
local terms energy: -46.729011
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -91.237523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.237523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.237523 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -32.677
Base-Backbone interact. energy: 0.036
local terms energy: -54.782422
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -85.409663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409663 (E_RNA)
where:
Base-Base interactions energy: -28.467
where: short stacking energy: -28.319
Base-Backbone interact. energy: -0.036
local terms energy: -56.906264
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -250.921701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.921701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.921701 (E_RNA)
where:
Base-Base interactions energy: -169.307
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.161
local terms energy: -81.454127
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -12.725
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: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -243.348212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.348212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.348212 (E_RNA)
where:
Base-Base interactions energy: -164.344
where: short stacking energy: -74.333
Base-Backbone interact. energy: -0.684
local terms energy: -78.320102
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -14.325
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: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -221.395901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.395901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.395901 (E_RNA)
where:
Base-Base interactions energy: -146.409
where: short stacking energy: -52.969
Base-Backbone interact. energy: -0.931
local terms energy: -74.056010
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -226.624297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.624297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.624297 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.824
local terms energy: -79.363034
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -18.094
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: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -155.304308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.304308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.304308 (E_RNA)
where:
Base-Base interactions energy: -89.197
where: short stacking energy: -48.169
Base-Backbone interact. energy: -0.975
local terms energy: -65.131703
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -8.962
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: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -92.682968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.682968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.682968 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.158
local terms energy: -60.141846
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -5.103
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -98.713633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.713633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.713633 (E_RNA)
where:
Base-Base interactions energy: -44.322
where: short stacking energy: -37.768
Base-Backbone interact. energy: 0.079
local terms energy: -54.470420
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -103.982076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.982076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.982076 (E_RNA)
where:
Base-Base interactions energy: -44.620
where: short stacking energy: -34.574
Base-Backbone interact. energy: -0.182
local terms energy: -59.180317
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -4.503
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: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -90.056691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.056691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.056691 (E_RNA)
where:
Base-Base interactions energy: -32.728
where: short stacking energy: -24.548
Base-Backbone interact. energy: -0.080
local terms energy: -57.248232
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -86.924012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.924012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.924012 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -25.751
Base-Backbone interact. energy: -0.355
local terms energy: -54.966296
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -249.536371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.536371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.536371 (E_RNA)
where:
Base-Base interactions energy: -169.511
where: short stacking energy: -61.413
Base-Backbone interact. energy: 0.116
local terms energy: -80.141564
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -246.890794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.890794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.890794 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.364
local terms energy: -77.335725
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -230.381911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.381911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.381911 (E_RNA)
where:
Base-Base interactions energy: -151.860
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.409
local terms energy: -78.112979
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -179.990195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.990195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.990195 (E_RNA)
where:
Base-Base interactions energy: -115.224
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.371
local terms energy: -64.394866
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -6.442
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: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -227.199173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.199173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.199173 (E_RNA)
where:
Base-Base interactions energy: -146.936
where: short stacking energy: -67.115
Base-Backbone interact. energy: -0.346
local terms energy: -79.916679
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -111.081333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.081333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.081333 (E_RNA)
where:
Base-Base interactions energy: -49.952
where: short stacking energy: -37.610
Base-Backbone interact. energy: -0.263
local terms energy: -60.866337
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -12.179
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: 449
Temperature: 1.200000
Total energy: -94.975862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.975862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.975862 (E_RNA)
where:
Base-Base interactions energy: -40.473
where: short stacking energy: -26.350
Base-Backbone interact. energy: -0.083
local terms energy: -54.419712
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -11.519
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: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -85.249965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.249965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.249965 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -23.261
Base-Backbone interact. energy: 1.450
local terms energy: -59.924165
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: 2.176
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: 449
Temperature: 1.300000
Total energy: -91.769792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.769792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.769792 (E_RNA)
where:
Base-Base interactions energy: -35.692
where: short stacking energy: -35.692
Base-Backbone interact. energy: 0.119
local terms energy: -56.196342
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -91.124928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.124928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.124928 (E_RNA)
where:
Base-Base interactions energy: -32.703
where: short stacking energy: -32.703
Base-Backbone interact. energy: -0.122
local terms energy: -58.299328
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -245.104850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.104850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.104850 (E_RNA)
where:
Base-Base interactions energy: -172.071
where: short stacking energy: -65.771
Base-Backbone interact. energy: -0.894
local terms energy: -72.139840
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -229.425995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.425995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.425995 (E_RNA)
where:
Base-Base interactions energy: -152.534
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.670
local terms energy: -76.221653
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -235.352568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.352568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.352568 (E_RNA)
where:
Base-Base interactions energy: -168.975
where: short stacking energy: -51.033
Base-Backbone interact. energy: -0.462
local terms energy: -65.915500
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -160.030814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.030814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.030814 (E_RNA)
where:
Base-Base interactions energy: -93.991
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.088
local terms energy: -65.951483
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -220.544942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.544942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.544942 (E_RNA)
where:
Base-Base interactions energy: -154.556
where: short stacking energy: -64.187
Base-Backbone interact. energy: 0.945
local terms energy: -66.933856
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -96.213731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.213731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.213731 (E_RNA)
where:
Base-Base interactions energy: -38.530
where: short stacking energy: -35.572
Base-Backbone interact. energy: 0.134
local terms energy: -57.818356
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.991
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: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -109.226637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.226637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.226637 (E_RNA)
where:
Base-Base interactions energy: -45.216
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.205
local terms energy: -63.805364
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -8.482
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: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -88.400373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.400373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.400373 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -28.849
Base-Backbone interact. energy: -0.183
local terms energy: -53.839904
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -105.372201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.372201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.372201 (E_RNA)
where:
Base-Base interactions energy: -61.093
where: short stacking energy: -33.669
Base-Backbone interact. energy: 0.124
local terms energy: -44.402481
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -76.771184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.771184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.771184 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -25.131
Base-Backbone interact. energy: -0.736
local terms energy: -46.495708
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -247.041377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.041377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.041377 (E_RNA)
where:
Base-Base interactions energy: -165.729
where: short stacking energy: -65.740
Base-Backbone interact. energy: 1.794
local terms energy: -83.106028
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -239.065840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.065840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.065840 (E_RNA)
where:
Base-Base interactions energy: -170.891
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.607
local terms energy: -67.568019
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.837
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: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -239.341630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.341630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.341630 (E_RNA)
where:
Base-Base interactions energy: -162.827
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.690
local terms energy: -75.824996
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -8.059
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: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -226.143547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.143547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.143547 (E_RNA)
where:
Base-Base interactions energy: -155.212
where: short stacking energy: -70.850
Base-Backbone interact. energy: -0.180
local terms energy: -70.751896
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -7.808
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -173.845432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.845432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.845432 (E_RNA)
where:
Base-Base interactions energy: -104.259
where: short stacking energy: -55.428
Base-Backbone interact. energy: -0.191
local terms energy: -69.395975
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -6.933
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: 451
Temperature: 1.150000
Total energy: -106.360091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.360091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.360091 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -43.002
Base-Backbone interact. energy: -0.242
local terms energy: -62.353283
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -88.891016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.891016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.891016 (E_RNA)
where:
Base-Base interactions energy: -32.188
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.120
local terms energy: -56.582626
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -12.124
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: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -100.267001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.267001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.267001 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -29.857
Base-Backbone interact. energy: -0.044
local terms energy: -63.710275
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -82.570333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.570333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.570333 (E_RNA)
where:
Base-Base interactions energy: -33.957
where: short stacking energy: -33.208
Base-Backbone interact. energy: 0.935
local terms energy: -49.548887
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -79.927583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.927583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.927583 (E_RNA)
where:
Base-Base interactions energy: -25.598
where: short stacking energy: -25.598
Base-Backbone interact. energy: -0.085
local terms energy: -54.243778
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -1.976
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: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -246.261548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.261548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.261548 (E_RNA)
where:
Base-Base interactions energy: -171.491
where: short stacking energy: -69.473
Base-Backbone interact. energy: -0.357
local terms energy: -74.413846
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -248.995890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.995890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.995890 (E_RNA)
where:
Base-Base interactions energy: -180.308
where: short stacking energy: -65.605
Base-Backbone interact. energy: 0.789
local terms energy: -69.476279
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -14.624
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: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -241.737837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.737837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.737837 (E_RNA)
where:
Base-Base interactions energy: -159.422
where: short stacking energy: -70.811
Base-Backbone interact. energy: -0.215
local terms energy: -82.101251
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -226.472021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.472021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.472021 (E_RNA)
where:
Base-Base interactions energy: -148.680
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.194
local terms energy: -77.598011
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -165.789538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.789538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.789538 (E_RNA)
where:
Base-Base interactions energy: -101.778
where: short stacking energy: -51.021
Base-Backbone interact. energy: 0.115
local terms energy: -64.126805
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -7.378
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: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -98.493891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.493891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.493891 (E_RNA)
where:
Base-Base interactions energy: -32.104
where: short stacking energy: -32.104
Base-Backbone interact. energy: -1.021
local terms energy: -65.368449
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -110.327634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.327634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.327634 (E_RNA)
where:
Base-Base interactions energy: -49.687
where: short stacking energy: -26.718
Base-Backbone interact. energy: -0.957
local terms energy: -59.683841
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -5.162
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: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -101.270252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.270252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.270252 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -44.482
Base-Backbone interact. energy: 0.829
local terms energy: -56.584347
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -81.874280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.874280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.874280 (E_RNA)
where:
Base-Base interactions energy: -23.645
where: short stacking energy: -23.371
Base-Backbone interact. energy: -0.161
local terms energy: -58.068304
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -87.496296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.496296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.496296 (E_RNA)
where:
Base-Base interactions energy: -34.425
where: short stacking energy: -34.425
Base-Backbone interact. energy: -0.028
local terms energy: -53.043215
where:
bonds (distance) C4'-P energy: -5.915
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -243.023470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.023470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.023470 (E_RNA)
where:
Base-Base interactions energy: -167.778
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.309
local terms energy: -74.936927
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -265.447542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.447542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.447542 (E_RNA)
where:
Base-Base interactions energy: -188.211
where: short stacking energy: -60.447
Base-Backbone interact. energy: -0.888
local terms energy: -76.348341
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -237.483615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.483615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.483615 (E_RNA)
where:
Base-Base interactions energy: -156.519
where: short stacking energy: -69.222
Base-Backbone interact. energy: -1.029
local terms energy: -79.936176
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -222.154762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.154762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.154762 (E_RNA)
where:
Base-Base interactions energy: -145.686
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.261
local terms energy: -76.207899
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -177.289369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.289369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.289369 (E_RNA)
where:
Base-Base interactions energy: -113.936
where: short stacking energy: -46.715
Base-Backbone interact. energy: -0.297
local terms energy: -63.056582
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -104.065648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.065648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.065648 (E_RNA)
where:
Base-Base interactions energy: -55.085
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.003
local terms energy: -48.977886
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -6.712
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -97.309715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.309715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.309715 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -29.121
Base-Backbone interact. energy: -1.570
local terms energy: -54.425370
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -4.458
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: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -93.768095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.768095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.768095 (E_RNA)
where:
Base-Base interactions energy: -37.079
where: short stacking energy: -35.028
Base-Backbone interact. energy: -0.041
local terms energy: -56.648005
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -92.354869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.354869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.354869 (E_RNA)
where:
Base-Base interactions energy: -38.883
where: short stacking energy: -38.249
Base-Backbone interact. energy: -0.070
local terms energy: -53.402435
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -4.151
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: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -77.079829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.079829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.079829 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -28.987
Base-Backbone interact. energy: -0.690
local terms energy: -47.402929
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -253.608459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.608459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.608459 (E_RNA)
where:
Base-Base interactions energy: -174.333
where: short stacking energy: -68.134
Base-Backbone interact. energy: 0.040
local terms energy: -79.315633
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -258.083298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.083298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.083298 (E_RNA)
where:
Base-Base interactions energy: -180.792
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.522
local terms energy: -76.769209
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -234.375429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.375429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.375429 (E_RNA)
where:
Base-Base interactions energy: -155.917
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.152
local terms energy: -78.305783
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -8.261
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: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -216.959878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.959878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.959878 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -54.296
Base-Backbone interact. energy: -0.265
local terms energy: -77.716516
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -123.714095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.714095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.714095 (E_RNA)
where:
Base-Base interactions energy: -61.127
where: short stacking energy: -49.292
Base-Backbone interact. energy: 1.167
local terms energy: -63.754042
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -157.473101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.473101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.473101 (E_RNA)
where:
Base-Base interactions energy: -98.046
where: short stacking energy: -58.693
Base-Backbone interact. energy: 0.111
local terms energy: -59.537614
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: 2.079
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -102.691222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.691222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.691222 (E_RNA)
where:
Base-Base interactions energy: -44.033
where: short stacking energy: -44.033
Base-Backbone interact. energy: -0.003
local terms energy: -58.655211
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -88.191413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.191413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.191413 (E_RNA)
where:
Base-Base interactions energy: -38.397
where: short stacking energy: -33.005
Base-Backbone interact. energy: 0.607
local terms energy: -50.402277
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -85.455460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455460 (E_RNA)
where:
Base-Base interactions energy: -34.471
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.112
local terms energy: -50.872656
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -84.610783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.610783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.610783 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.306
local terms energy: -51.543073
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: 0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -258.090521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.090521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.090521 (E_RNA)
where:
Base-Base interactions energy: -176.369
where: short stacking energy: -64.739
Base-Backbone interact. energy: 0.714
local terms energy: -82.435254
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -17.363
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: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -231.453841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.453841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.453841 (E_RNA)
where:
Base-Base interactions energy: -157.853
where: short stacking energy: -67.660
Base-Backbone interact. energy: -0.178
local terms energy: -73.422686
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.244
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: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -236.389285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.389285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.389285 (E_RNA)
where:
Base-Base interactions energy: -156.066
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.199
local terms energy: -80.124420
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -228.892175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.892175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.892175 (E_RNA)
where:
Base-Base interactions energy: -166.275
where: short stacking energy: -71.969
Base-Backbone interact. energy: -0.163
local terms energy: -62.453830
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -110.949395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.949395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.949395 (E_RNA)
where:
Base-Base interactions energy: -53.499
where: short stacking energy: -49.015
Base-Backbone interact. energy: -0.350
local terms energy: -57.099983
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -166.298899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.298899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.298899 (E_RNA)
where:
Base-Base interactions energy: -94.902
where: short stacking energy: -45.016
Base-Backbone interact. energy: -0.000
local terms energy: -71.396517
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -109.275956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.275956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.275956 (E_RNA)
where:
Base-Base interactions energy: -44.883
where: short stacking energy: -44.883
Base-Backbone interact. energy: -0.012
local terms energy: -64.380850
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -9.609
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: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -86.224902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.224902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.224902 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -32.086
Base-Backbone interact. energy: -0.162
local terms energy: -52.929213
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -88.974177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.974177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.974177 (E_RNA)
where:
Base-Base interactions energy: -31.568
where: short stacking energy: -30.881
Base-Backbone interact. energy: -0.135
local terms energy: -57.271044
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -88.387848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.387848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.387848 (E_RNA)
where:
Base-Base interactions energy: -31.475
where: short stacking energy: -31.385
Base-Backbone interact. energy: 0.888
local terms energy: -57.800222
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -252.898671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.898671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.898671 (E_RNA)
where:
Base-Base interactions energy: -177.241
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.210
local terms energy: -75.446839
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -17.866
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: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -250.804381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.804381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.804381 (E_RNA)
where:
Base-Base interactions energy: -172.395
where: short stacking energy: -70.189
Base-Backbone interact. energy: -0.154
local terms energy: -78.255628
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -242.921446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.921446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.921446 (E_RNA)
where:
Base-Base interactions energy: -168.790
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.495
local terms energy: -73.636381
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -233.765829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.765829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.765829 (E_RNA)
where:
Base-Base interactions energy: -162.488
where: short stacking energy: -63.594
Base-Backbone interact. energy: -0.198
local terms energy: -71.079316
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -182.482508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.482508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.482508 (E_RNA)
where:
Base-Base interactions energy: -109.333
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.014
local terms energy: -73.135409
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -11.966
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: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -119.695886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.695886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.695886 (E_RNA)
where:
Base-Base interactions energy: -59.074
where: short stacking energy: -38.347
Base-Backbone interact. energy: -0.399
local terms energy: -60.223448
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -99.052117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.052117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.052117 (E_RNA)
where:
Base-Base interactions energy: -47.536
where: short stacking energy: -34.563
Base-Backbone interact. energy: -0.185
local terms energy: -51.331042
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -86.387138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.387138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.387138 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -29.873
Base-Backbone interact. energy: 0.005
local terms energy: -55.963086
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -96.198263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.198263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.198263 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.047
local terms energy: -59.968556
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -6.361
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: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -84.872809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.872809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.872809 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -34.206
Base-Backbone interact. energy: -0.181
local terms energy: -50.015983
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -241.061685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.061685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.061685 (E_RNA)
where:
Base-Base interactions energy: -154.267
where: short stacking energy: -77.542
Base-Backbone interact. energy: -0.678
local terms energy: -86.117008
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -19.374
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: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -247.635001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.635001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.635001 (E_RNA)
where:
Base-Base interactions energy: -168.699
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.533
local terms energy: -78.403029
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -240.531012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.531012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.531012 (E_RNA)
where:
Base-Base interactions energy: -171.000
where: short stacking energy: -68.642
Base-Backbone interact. energy: 0.069
local terms energy: -69.600026
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -10.874
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: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -242.183640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.183640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.183640 (E_RNA)
where:
Base-Base interactions energy: -160.407
where: short stacking energy: -74.808
Base-Backbone interact. energy: -0.329
local terms energy: -81.447563
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -186.945245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.945245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.945245 (E_RNA)
where:
Base-Base interactions energy: -108.308
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.146
local terms energy: -78.490857
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -109.556418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.556418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.556418 (E_RNA)
where:
Base-Base interactions energy: -52.835
where: short stacking energy: -24.669
Base-Backbone interact. energy: -0.433
local terms energy: -56.288566
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: 2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -93.784566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784566 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -31.146
Base-Backbone interact. energy: -0.268
local terms energy: -54.520665
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -102.138883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.138883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.138883 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -35.401
Base-Backbone interact. energy: 0.900
local terms energy: -60.877699
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -1.984
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -95.258848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.258848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.258848 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -31.022
Base-Backbone interact. energy: -0.429
local terms energy: -60.459516
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -89.586530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.586530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.586530 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -35.368
Base-Backbone interact. energy: -0.210
local terms energy: -54.008379
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -10.741
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: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -250.468894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.468894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.468894 (E_RNA)
where:
Base-Base interactions energy: -175.507
where: short stacking energy: -73.619
Base-Backbone interact. energy: -0.510
local terms energy: -74.452470
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -245.861953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.861953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.861953 (E_RNA)
where:
Base-Base interactions energy: -163.074
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.433
local terms energy: -82.354869
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -242.621519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.621519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.621519 (E_RNA)
where:
Base-Base interactions energy: -164.302
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.493
local terms energy: -77.826072
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -229.361653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.361653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.361653 (E_RNA)
where:
Base-Base interactions energy: -145.644
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.274
local terms energy: -83.444078
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -185.808637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.808637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.808637 (E_RNA)
where:
Base-Base interactions energy: -111.332
where: short stacking energy: -56.188
Base-Backbone interact. energy: -0.166
local terms energy: -74.310757
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -142.777366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.777366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.777366 (E_RNA)
where:
Base-Base interactions energy: -86.858
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.203
local terms energy: -55.716158
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -91.672013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.672013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.672013 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -24.005
Base-Backbone interact. energy: -0.116
local terms energy: -62.299210
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -14.923
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: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -89.375930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.375930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.375930 (E_RNA)
where:
Base-Base interactions energy: -34.579
where: short stacking energy: -34.579
Base-Backbone interact. energy: 1.216
local terms energy: -56.013320
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -117.542982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.542982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.542982 (E_RNA)
where:
Base-Base interactions energy: -57.937
where: short stacking energy: -48.121
Base-Backbone interact. energy: -0.616
local terms energy: -58.990111
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -9.751
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -94.196590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.196590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.196590 (E_RNA)
where:
Base-Base interactions energy: -34.928
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.069
local terms energy: -59.199145
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -10.439
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: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -255.978745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.978745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.978745 (E_RNA)
where:
Base-Base interactions energy: -178.790
where: short stacking energy: -71.048
Base-Backbone interact. energy: -0.415
local terms energy: -76.774176
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -258.311475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.311475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.311475 (E_RNA)
where:
Base-Base interactions energy: -187.430
where: short stacking energy: -59.946
Base-Backbone interact. energy: -2.590
local terms energy: -68.292119
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -232.934156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.934156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.934156 (E_RNA)
where:
Base-Base interactions energy: -162.107
where: short stacking energy: -61.966
Base-Backbone interact. energy: 4.587
local terms energy: -75.413868
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -11.905
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: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -229.451920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.451920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.451920 (E_RNA)
where:
Base-Base interactions energy: -150.457
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.457
local terms energy: -78.538275
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -193.348902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.348902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.348902 (E_RNA)
where:
Base-Base interactions energy: -118.610
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.094
local terms energy: -74.645154
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -14.418
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: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -157.020343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.020343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.020343 (E_RNA)
where:
Base-Base interactions energy: -96.848
where: short stacking energy: -52.590
Base-Backbone interact. energy: -2.261
local terms energy: -57.911320
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -92.146246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.146246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.146246 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.383
local terms energy: -51.310845
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -7.370
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -106.424698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.424698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.424698 (E_RNA)
where:
Base-Base interactions energy: -52.754
where: short stacking energy: -42.459
Base-Backbone interact. energy: -0.299
local terms energy: -53.372042
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -89.384786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.384786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.384786 (E_RNA)
where:
Base-Base interactions energy: -43.338
where: short stacking energy: -28.300
Base-Backbone interact. energy: 0.822
local terms energy: -46.868847
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -12.597
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: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -90.196774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.196774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.196774 (E_RNA)
where:
Base-Base interactions energy: -45.046
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.254
local terms energy: -44.896996
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: 1.237
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: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -260.621986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.621986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.621986 (E_RNA)
where:
Base-Base interactions energy: -184.237
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.590
local terms energy: -75.795667
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -12.211
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: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -241.934622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.934622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.934622 (E_RNA)
where:
Base-Base interactions energy: -168.814
where: short stacking energy: -67.192
Base-Backbone interact. energy: -0.338
local terms energy: -72.781716
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -12.131
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: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -235.562789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.562789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.562789 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.246
local terms energy: -77.203530
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -225.736015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.736015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.736015 (E_RNA)
where:
Base-Base interactions energy: -144.181
where: short stacking energy: -66.852
Base-Backbone interact. energy: -0.027
local terms energy: -81.528278
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -188.391383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.391383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.391383 (E_RNA)
where:
Base-Base interactions energy: -113.774
where: short stacking energy: -59.688
Base-Backbone interact. energy: -1.225
local terms energy: -73.392461
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -15.856
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: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -148.997126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.997126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.997126 (E_RNA)
where:
Base-Base interactions energy: -82.707
where: short stacking energy: -45.336
Base-Backbone interact. energy: -0.027
local terms energy: -66.262308
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -138.378763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.378763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.378763 (E_RNA)
where:
Base-Base interactions energy: -81.887
where: short stacking energy: -44.408
Base-Backbone interact. energy: -0.844
local terms energy: -55.647316
where:
bonds (distance) C4'-P energy: -7.617
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -7.767
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: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -97.150999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.150999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.150999 (E_RNA)
where:
Base-Base interactions energy: -43.817
where: short stacking energy: -32.181
Base-Backbone interact. energy: 0.466
local terms energy: -53.800262
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -97.384925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.384925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.384925 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -31.063
Base-Backbone interact. energy: -0.343
local terms energy: -55.833137
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -82.623874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.623874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.623874 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -26.664
Base-Backbone interact. energy: -0.487
local terms energy: -53.972043
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -266.913528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.913528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.913528 (E_RNA)
where:
Base-Base interactions energy: -188.491
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.016
local terms energy: -78.407124
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -244.855127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.855127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.855127 (E_RNA)
where:
Base-Base interactions energy: -174.745
where: short stacking energy: -72.104
Base-Backbone interact. energy: 1.558
local terms energy: -71.668870
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -241.058375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.058375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.058375 (E_RNA)
where:
Base-Base interactions energy: -159.618
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.681
local terms energy: -80.759580
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -195.180209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.180209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.180209 (E_RNA)
where:
Base-Base interactions energy: -116.139
where: short stacking energy: -61.118
Base-Backbone interact. energy: -0.012
local terms energy: -79.029893
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -14.573
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: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -234.413592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.413592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.413592 (E_RNA)
where:
Base-Base interactions energy: -162.337
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.185
local terms energy: -71.891735
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -16.204
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: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -193.962295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.962295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.962295 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.920
local terms energy: -67.879757
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -12.761
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: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -143.469210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.469210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.469210 (E_RNA)
where:
Base-Base interactions energy: -82.635
where: short stacking energy: -36.914
Base-Backbone interact. energy: -0.210
local terms energy: -60.624470
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -90.101785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.101785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.101785 (E_RNA)
where:
Base-Base interactions energy: -37.147
where: short stacking energy: -23.735
Base-Backbone interact. energy: -0.254
local terms energy: -52.701555
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -9.351
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: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -105.912766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.912766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.912766 (E_RNA)
where:
Base-Base interactions energy: -45.337
where: short stacking energy: -33.251
Base-Backbone interact. energy: -0.153
local terms energy: -60.422666
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -83.153960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.153960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.153960 (E_RNA)
where:
Base-Base interactions energy: -29.296
where: short stacking energy: -26.386
Base-Backbone interact. energy: 0.415
local terms energy: -54.272962
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -244.809803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.809803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.809803 (E_RNA)
where:
Base-Base interactions energy: -164.750
where: short stacking energy: -66.613
Base-Backbone interact. energy: -0.319
local terms energy: -79.740852
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -247.781824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.781824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.781824 (E_RNA)
where:
Base-Base interactions energy: -169.059
where: short stacking energy: -69.508
Base-Backbone interact. energy: 0.087
local terms energy: -78.810444
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -230.001140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.001140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.001140 (E_RNA)
where:
Base-Base interactions energy: -160.649
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.686
local terms energy: -68.666760
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -15.580
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: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -195.231576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.231576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.231576 (E_RNA)
where:
Base-Base interactions energy: -125.537
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.012
local terms energy: -69.682102
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -14.960
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: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -215.834690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.834690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.834690 (E_RNA)
where:
Base-Base interactions energy: -147.558
where: short stacking energy: -68.451
Base-Backbone interact. energy: -0.114
local terms energy: -68.162417
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -169.666778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.666778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.666778 (E_RNA)
where:
Base-Base interactions energy: -103.252
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.196
local terms energy: -66.218771
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -95.950905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.950905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.950905 (E_RNA)
where:
Base-Base interactions energy: -36.875
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.216
local terms energy: -58.860014
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -109.100439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.100439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.100439 (E_RNA)
where:
Base-Base interactions energy: -63.000
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.473
local terms energy: -45.627817
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -87.696932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.696932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.696932 (E_RNA)
where:
Base-Base interactions energy: -32.654
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.154
local terms energy: -54.889278
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -78.530143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.530143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.530143 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -22.563
Base-Backbone interact. energy: -0.178
local terms energy: -48.425949
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -246.066444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.066444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.066444 (E_RNA)
where:
Base-Base interactions energy: -167.381
where: short stacking energy: -75.763
Base-Backbone interact. energy: -0.494
local terms energy: -78.191809
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -9.973
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: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -245.469376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.469376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.469376 (E_RNA)
where:
Base-Base interactions energy: -164.816
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.174
local terms energy: -80.479036
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -236.863976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.863976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.863976 (E_RNA)
where:
Base-Base interactions energy: -156.296
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.349
local terms energy: -80.218792
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -220.773046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.773046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.773046 (E_RNA)
where:
Base-Base interactions energy: -145.072
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.145
local terms energy: -75.556307
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -197.352559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.352559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.352559 (E_RNA)
where:
Base-Base interactions energy: -126.821
where: short stacking energy: -58.389
Base-Backbone interact. energy: -0.148
local terms energy: -70.384099
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -158.628020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.628020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.628020 (E_RNA)
where:
Base-Base interactions energy: -88.205
where: short stacking energy: -48.043
Base-Backbone interact. energy: 0.485
local terms energy: -70.908269
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -11.845
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: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -90.310176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.310176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.310176 (E_RNA)
where:
Base-Base interactions energy: -26.063
where: short stacking energy: -26.063
Base-Backbone interact. energy: -0.047
local terms energy: -64.200288
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -3.085
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: 463
Temperature: 1.250000
Total energy: -92.473528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.473528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.473528 (E_RNA)
where:
Base-Base interactions energy: -31.079
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.024
local terms energy: -61.370219
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -85.741034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.741034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.741034 (E_RNA)
where:
Base-Base interactions energy: -35.032
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.760
local terms energy: -49.948669
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -5.444
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -79.122342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122342 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -32.978
Base-Backbone interact. energy: -0.038
local terms energy: -44.403456
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -239.470035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.470035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.470035 (E_RNA)
where:
Base-Base interactions energy: -165.021
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.917
local terms energy: -73.531667
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -245.576857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.576857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.576857 (E_RNA)
where:
Base-Base interactions energy: -167.172
where: short stacking energy: -74.300
Base-Backbone interact. energy: -1.262
local terms energy: -77.143441
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -12.766
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: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -232.238890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.238890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.238890 (E_RNA)
where:
Base-Base interactions energy: -158.102
where: short stacking energy: -65.324
Base-Backbone interact. energy: -1.285
local terms energy: -72.851835
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -232.529807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.529807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.529807 (E_RNA)
where:
Base-Base interactions energy: -157.075
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.176
local terms energy: -75.278548
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -169.719125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.719125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.719125 (E_RNA)
where:
Base-Base interactions energy: -101.368
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.311
local terms energy: -68.040189
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -9.646
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: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -167.442998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.442998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.442998 (E_RNA)
where:
Base-Base interactions energy: -104.690
where: short stacking energy: -54.766
Base-Backbone interact. energy: -0.412
local terms energy: -62.341242
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -8.451
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: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -101.359405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.359405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.359405 (E_RNA)
where:
Base-Base interactions energy: -43.905
where: short stacking energy: -37.844
Base-Backbone interact. energy: -0.025
local terms energy: -57.429079
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -90.966803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.966803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.966803 (E_RNA)
where:
Base-Base interactions energy: -30.145
where: short stacking energy: -22.377
Base-Backbone interact. energy: -0.543
local terms energy: -60.278826
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -93.126551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.126551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.126551 (E_RNA)
where:
Base-Base interactions energy: -41.776
where: short stacking energy: -32.795
Base-Backbone interact. energy: -0.394
local terms energy: -50.955688
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -6.558
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: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -84.952371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.952371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.952371 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.167
local terms energy: -54.719827
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -245.727710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.727710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.727710 (E_RNA)
where:
Base-Base interactions energy: -164.851
where: short stacking energy: -68.921
Base-Backbone interact. energy: -0.166
local terms energy: -80.710996
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -237.040014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.040014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.040014 (E_RNA)
where:
Base-Base interactions energy: -156.359
where: short stacking energy: -67.381
Base-Backbone interact. energy: -0.942
local terms energy: -79.738520
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -233.803809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.803809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.803809 (E_RNA)
where:
Base-Base interactions energy: -161.768
where: short stacking energy: -65.860
Base-Backbone interact. energy: -0.043
local terms energy: -71.993213
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -224.614575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.614575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.614575 (E_RNA)
where:
Base-Base interactions energy: -150.049
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.333
local terms energy: -74.232431
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -10.235
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: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -172.287313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.287313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.287313 (E_RNA)
where:
Base-Base interactions energy: -109.377
where: short stacking energy: -46.704
Base-Backbone interact. energy: -0.444
local terms energy: -62.466562
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -120.302684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.302684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.302684 (E_RNA)
where:
Base-Base interactions energy: -52.280
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.047
local terms energy: -67.975582
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -11.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -177.856631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856631 (E_RNA)
where:
Base-Base interactions energy: -109.630
where: short stacking energy: -50.426
Base-Backbone interact. energy: -0.108
local terms energy: -68.118131
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -12.479
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: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -89.940374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.940374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.940374 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -28.138
Base-Backbone interact. energy: 0.532
local terms energy: -54.663378
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -13.420
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: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -84.056476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.056476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.056476 (E_RNA)
where:
Base-Base interactions energy: -36.865
where: short stacking energy: -36.434
Base-Backbone interact. energy: -0.100
local terms energy: -47.090863
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -86.264311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.264311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.264311 (E_RNA)
where:
Base-Base interactions energy: -24.714
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.045
local terms energy: -61.505552
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -255.049331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.049331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.049331 (E_RNA)
where:
Base-Base interactions energy: -174.857
where: short stacking energy: -79.557
Base-Backbone interact. energy: -0.304
local terms energy: -79.888169
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -242.726556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.726556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.726556 (E_RNA)
where:
Base-Base interactions energy: -161.949
where: short stacking energy: -74.757
Base-Backbone interact. energy: 0.084
local terms energy: -80.861857
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -236.792458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.792458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.792458 (E_RNA)
where:
Base-Base interactions energy: -162.719
where: short stacking energy: -70.023
Base-Backbone interact. energy: -0.118
local terms energy: -73.955258
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -225.560529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.560529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.560529 (E_RNA)
where:
Base-Base interactions energy: -151.470
where: short stacking energy: -72.549
Base-Backbone interact. energy: -0.300
local terms energy: -73.790638
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -171.929667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.929667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.929667 (E_RNA)
where:
Base-Base interactions energy: -101.839
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.182
local terms energy: -69.908622
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -12.663
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: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -107.766369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.766369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.766369 (E_RNA)
where:
Base-Base interactions energy: -43.456
where: short stacking energy: -41.599
Base-Backbone interact. energy: -0.164
local terms energy: -64.146720
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -7.916
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: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -170.763350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.763350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.763350 (E_RNA)
where:
Base-Base interactions energy: -115.301
where: short stacking energy: -46.298
Base-Backbone interact. energy: -0.550
local terms energy: -54.911954
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -81.404914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.404914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.404914 (E_RNA)
where:
Base-Base interactions energy: -24.721
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.007
local terms energy: -56.676364
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -91.993751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.993751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.993751 (E_RNA)
where:
Base-Base interactions energy: -29.124
where: short stacking energy: -28.349
Base-Backbone interact. energy: -0.257
local terms energy: -62.612698
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -79.178261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178261 (E_RNA)
where:
Base-Base interactions energy: -29.495
where: short stacking energy: -29.495
Base-Backbone interact. energy: 0.874
local terms energy: -50.557370
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -253.822619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.822619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.822619 (E_RNA)
where:
Base-Base interactions energy: -174.414
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.473
local terms energy: -78.935371
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -241.178824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.178824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.178824 (E_RNA)
where:
Base-Base interactions energy: -154.537
where: short stacking energy: -73.494
Base-Backbone interact. energy: -0.843
local terms energy: -85.798912
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -241.018291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.018291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.018291 (E_RNA)
where:
Base-Base interactions energy: -155.219
where: short stacking energy: -65.551
Base-Backbone interact. energy: -0.198
local terms energy: -85.601463
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -228.732878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.732878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732878 (E_RNA)
where:
Base-Base interactions energy: -157.705
where: short stacking energy: -66.929
Base-Backbone interact. energy: -0.283
local terms energy: -70.744711
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -16.097
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: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -172.587624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.587624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.587624 (E_RNA)
where:
Base-Base interactions energy: -109.150
where: short stacking energy: -51.664
Base-Backbone interact. energy: -0.182
local terms energy: -63.255522
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -169.008081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.008081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.008081 (E_RNA)
where:
Base-Base interactions energy: -98.755
where: short stacking energy: -54.974
Base-Backbone interact. energy: 0.043
local terms energy: -70.295467
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.742
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: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -107.424833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.424833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.424833 (E_RNA)
where:
Base-Base interactions energy: -50.724
where: short stacking energy: -48.511
Base-Backbone interact. energy: -0.112
local terms energy: -56.588116
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -103.432865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.432865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.432865 (E_RNA)
where:
Base-Base interactions energy: -43.476
where: short stacking energy: -41.664
Base-Backbone interact. energy: -0.165
local terms energy: -59.791613
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -93.617900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.617900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.617900 (E_RNA)
where:
Base-Base interactions energy: -47.413
where: short stacking energy: -43.885
Base-Backbone interact. energy: -0.155
local terms energy: -46.049776
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -6.199
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: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -78.308380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.308380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.308380 (E_RNA)
where:
Base-Base interactions energy: -30.131
where: short stacking energy: -30.131
Base-Backbone interact. energy: 0.056
local terms energy: -48.233323
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: 2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -242.520277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.520277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.520277 (E_RNA)
where:
Base-Base interactions energy: -159.975
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.237
local terms energy: -82.307492
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -243.870639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.870639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.870639 (E_RNA)
where:
Base-Base interactions energy: -162.208
where: short stacking energy: -73.255
Base-Backbone interact. energy: -0.790
local terms energy: -80.872407
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -16.394
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: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -231.364480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.364480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.364480 (E_RNA)
where:
Base-Base interactions energy: -151.999
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.151
local terms energy: -79.214083
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -231.479273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.479273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.479273 (E_RNA)
where:
Base-Base interactions energy: -150.057
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.822
local terms energy: -80.600778
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -178.785776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.785776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.785776 (E_RNA)
where:
Base-Base interactions energy: -105.423
where: short stacking energy: -54.833
Base-Backbone interact. energy: -0.172
local terms energy: -73.190733
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -187.969889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.969889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.969889 (E_RNA)
where:
Base-Base interactions energy: -118.500
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.701
local terms energy: -68.768485
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -97.738317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.738317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.738317 (E_RNA)
where:
Base-Base interactions energy: -39.595
where: short stacking energy: -39.595
Base-Backbone interact. energy: 5.004
local terms energy: -63.147875
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.188
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: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -90.692780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.692780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.692780 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.167
local terms energy: -52.744899
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -3.123
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: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -81.405469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.405469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.405469 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.425
local terms energy: -48.943962
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -81.838112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.838112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.838112 (E_RNA)
where:
Base-Base interactions energy: -38.757
where: short stacking energy: -23.179
Base-Backbone interact. energy: -0.316
local terms energy: -42.765885
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: 1.143
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: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -241.708879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.708879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.708879 (E_RNA)
where:
Base-Base interactions energy: -160.237
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.430
local terms energy: -81.041959
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -244.808127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.808127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.808127 (E_RNA)
where:
Base-Base interactions energy: -166.937
where: short stacking energy: -65.873
Base-Backbone interact. energy: 0.444
local terms energy: -78.315318
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -13.205
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: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -239.674204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.674204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.674204 (E_RNA)
where:
Base-Base interactions energy: -172.152
where: short stacking energy: -59.372
Base-Backbone interact. energy: -0.449
local terms energy: -67.073478
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -191.824452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.824452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.824452 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.075
local terms energy: -62.856690
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -234.570413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.570413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.570413 (E_RNA)
where:
Base-Base interactions energy: -160.509
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.643
local terms energy: -73.418382
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -9.640
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: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -187.635693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.635693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.635693 (E_RNA)
where:
Base-Base interactions energy: -116.542
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.337
local terms energy: -70.756383
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -92.112838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.112838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.112838 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -30.893
Base-Backbone interact. energy: 2.406
local terms energy: -57.821536
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -87.910740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.910740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.910740 (E_RNA)
where:
Base-Base interactions energy: -29.498
where: short stacking energy: -29.043
Base-Backbone interact. energy: -0.205
local terms energy: -58.207513
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -93.854454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.854454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.854454 (E_RNA)
where:
Base-Base interactions energy: -37.602
where: short stacking energy: -37.602
Base-Backbone interact. energy: -0.653
local terms energy: -55.599925
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -82.718475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.718475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.718475 (E_RNA)
where:
Base-Base interactions energy: -30.210
where: short stacking energy: -24.945
Base-Backbone interact. energy: 0.263
local terms energy: -52.770999
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: 1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -250.034651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.034651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.034651 (E_RNA)
where:
Base-Base interactions energy: -166.562
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.222
local terms energy: -83.250727
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -245.693685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.693685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.693685 (E_RNA)
where:
Base-Base interactions energy: -168.550
where: short stacking energy: -69.272
Base-Backbone interact. energy: 0.951
local terms energy: -78.094896
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -11.036
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: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -229.051767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.051767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.051767 (E_RNA)
where:
Base-Base interactions energy: -157.579
where: short stacking energy: -62.499
Base-Backbone interact. energy: -0.843
local terms energy: -70.629815
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -202.898782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.898782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.898782 (E_RNA)
where:
Base-Base interactions energy: -126.810
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.805
local terms energy: -75.283558
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -224.410336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.410336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.410336 (E_RNA)
where:
Base-Base interactions energy: -154.077
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.479
local terms energy: -69.854126
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -21.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -147.063009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.063009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.063009 (E_RNA)
where:
Base-Base interactions energy: -84.907
where: short stacking energy: -42.133
Base-Backbone interact. energy: -0.184
local terms energy: -61.971319
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -91.165722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.165722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.165722 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -30.064
Base-Backbone interact. energy: -0.129
local terms energy: -58.654352
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -99.096152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.096152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.096152 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -36.636
Base-Backbone interact. energy: -0.235
local terms energy: -53.563741
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -86.463335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.463335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.463335 (E_RNA)
where:
Base-Base interactions energy: -30.063
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.208
local terms energy: -56.192994
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -80.059918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.059918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.059918 (E_RNA)
where:
Base-Base interactions energy: -28.957
where: short stacking energy: -24.817
Base-Backbone interact. energy: -0.304
local terms energy: -50.798838
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: 3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -243.054901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.054901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.054901 (E_RNA)
where:
Base-Base interactions energy: -169.584
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.491
local terms energy: -72.979532
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -13.269
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -238.017017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.017017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.017017 (E_RNA)
where:
Base-Base interactions energy: -161.946
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.883
local terms energy: -75.187327
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -251.783192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.783192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.783192 (E_RNA)
where:
Base-Base interactions energy: -178.172
where: short stacking energy: -66.389
Base-Backbone interact. energy: -1.116
local terms energy: -72.495370
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -225.708670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.708670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.708670 (E_RNA)
where:
Base-Base interactions energy: -154.288
where: short stacking energy: -69.236
Base-Backbone interact. energy: -0.716
local terms energy: -70.705155
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -191.083395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.083395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.083395 (E_RNA)
where:
Base-Base interactions energy: -122.799
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.014
local terms energy: -68.270658
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -12.530
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: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -158.473761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.473761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.473761 (E_RNA)
where:
Base-Base interactions energy: -92.036
where: short stacking energy: -58.040
Base-Backbone interact. energy: -0.029
local terms energy: -66.408763
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -89.131409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.131409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.131409 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -32.096
Base-Backbone interact. energy: -0.495
local terms energy: -56.540108
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -90.102024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.102024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.102024 (E_RNA)
where:
Base-Base interactions energy: -39.855
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.030
local terms energy: -50.217053
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -5.944
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: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -96.452383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.452383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.452383 (E_RNA)
where:
Base-Base interactions energy: -43.974
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.146
local terms energy: -52.331708
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -12.795
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: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -88.642740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.642740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.642740 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -18.485
Base-Backbone interact. energy: 0.054
local terms energy: -54.804370
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -226.830303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.830303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.830303 (E_RNA)
where:
Base-Base interactions energy: -152.918
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.260
local terms energy: -73.653104
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -20.015
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: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -252.977807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.977807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.977807 (E_RNA)
where:
Base-Base interactions energy: -178.205
where: short stacking energy: -70.091
Base-Backbone interact. energy: -1.199
local terms energy: -73.573079
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -15.972
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: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -256.149870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.149870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.149870 (E_RNA)
where:
Base-Base interactions energy: -176.137
where: short stacking energy: -71.659
Base-Backbone interact. energy: -0.537
local terms energy: -79.475578
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -228.063402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.063402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.063402 (E_RNA)
where:
Base-Base interactions energy: -144.232
where: short stacking energy: -74.303
Base-Backbone interact. energy: 0.348
local terms energy: -84.179777
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -14.857
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: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -191.931063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.931063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.931063 (E_RNA)
where:
Base-Base interactions energy: -127.287
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.008
local terms energy: -64.635722
where:
bonds (distance) C4'-P energy: -7.212
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -5.108
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: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -169.656926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.656926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.656926 (E_RNA)
where:
Base-Base interactions energy: -107.765
where: short stacking energy: -49.176
Base-Backbone interact. energy: -0.122
local terms energy: -61.769683
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -101.493871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.493871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.493871 (E_RNA)
where:
Base-Base interactions energy: -53.185
where: short stacking energy: -32.281
Base-Backbone interact. energy: -1.452
local terms energy: -46.857126
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -5.778
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: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -103.124687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.124687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.124687 (E_RNA)
where:
Base-Base interactions energy: -45.256
where: short stacking energy: -40.498
Base-Backbone interact. energy: 0.041
local terms energy: -57.909655
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -5.153
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: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -91.997187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.997187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.997187 (E_RNA)
where:
Base-Base interactions energy: -43.219
where: short stacking energy: -39.655
Base-Backbone interact. energy: -0.285
local terms energy: -48.492798
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -8.279
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: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -88.516838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.516838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.516838 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -27.331
Base-Backbone interact. energy: -0.344
local terms energy: -47.829645
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -242.533578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.533578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.533578 (E_RNA)
where:
Base-Base interactions energy: -180.103
where: short stacking energy: -63.456
Base-Backbone interact. energy: -0.420
local terms energy: -62.010515
where:
bonds (distance) C4'-P energy: -6.296
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -11.108
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: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -257.017582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.017582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.017582 (E_RNA)
where:
Base-Base interactions energy: -175.750
where: short stacking energy: -68.696
Base-Backbone interact. energy: -1.034
local terms energy: -80.233398
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -241.786035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.786035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.786035 (E_RNA)
where:
Base-Base interactions energy: -165.125
where: short stacking energy: -67.141
Base-Backbone interact. energy: -0.122
local terms energy: -76.538581
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -192.949781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.949781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.949781 (E_RNA)
where:
Base-Base interactions energy: -121.388
where: short stacking energy: -65.306
Base-Backbone interact. energy: 0.329
local terms energy: -71.890932
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.721
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: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -222.039552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.039552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.039552 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.809
local terms energy: -68.360862
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -20.016
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: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -173.564045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.564045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.564045 (E_RNA)
where:
Base-Base interactions energy: -104.691
where: short stacking energy: -56.786
Base-Backbone interact. energy: -0.184
local terms energy: -68.688893
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -132.528253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.528253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.528253 (E_RNA)
where:
Base-Base interactions energy: -71.757
where: short stacking energy: -45.822
Base-Backbone interact. energy: 2.962
local terms energy: -63.733615
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -5.799
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: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -104.460115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.460115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.460115 (E_RNA)
where:
Base-Base interactions energy: -53.022
where: short stacking energy: -30.792
Base-Backbone interact. energy: -0.019
local terms energy: -51.418398
where:
bonds (distance) C4'-P energy: -7.053
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -79.695534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.695534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.695534 (E_RNA)
where:
Base-Base interactions energy: -32.185
where: short stacking energy: -25.635
Base-Backbone interact. energy: 0.445
local terms energy: -47.955382
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -87.462161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.462161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.462161 (E_RNA)
where:
Base-Base interactions energy: -36.378
where: short stacking energy: -34.670
Base-Backbone interact. energy: -0.112
local terms energy: -50.972023
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -5.251
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: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -249.809625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.809625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.809625 (E_RNA)
where:
Base-Base interactions energy: -171.523
where: short stacking energy: -69.008
Base-Backbone interact. energy: -0.041
local terms energy: -78.244986
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -237.758073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.758073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.758073 (E_RNA)
where:
Base-Base interactions energy: -167.772
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.587
local terms energy: -69.398732
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -209.033490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.033490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.033490 (E_RNA)
where:
Base-Base interactions energy: -143.592
where: short stacking energy: -63.311
Base-Backbone interact. energy: -0.078
local terms energy: -65.363534
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -249.334215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.334215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.334215 (E_RNA)
where:
Base-Base interactions energy: -170.253
where: short stacking energy: -68.457
Base-Backbone interact. energy: -0.087
local terms energy: -78.994361
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -220.962667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.962667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.962667 (E_RNA)
where:
Base-Base interactions energy: -143.084
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.278
local terms energy: -77.600051
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -177.959436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.959436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.959436 (E_RNA)
where:
Base-Base interactions energy: -106.610
where: short stacking energy: -58.801
Base-Backbone interact. energy: -0.074
local terms energy: -71.276343
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -109.656452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.656452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.656452 (E_RNA)
where:
Base-Base interactions energy: -54.712
where: short stacking energy: -38.906
Base-Backbone interact. energy: -0.064
local terms energy: -54.880222
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -3.289
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: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -116.339676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.339676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.339676 (E_RNA)
where:
Base-Base interactions energy: -66.893
where: short stacking energy: -32.145
Base-Backbone interact. energy: -0.382
local terms energy: -49.064548
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -92.231142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.231142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.231142 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -36.348
Base-Backbone interact. energy: -0.112
local terms energy: -55.771160
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -85.575989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.575989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.575989 (E_RNA)
where:
Base-Base interactions energy: -28.801
where: short stacking energy: -22.365
Base-Backbone interact. energy: -0.844
local terms energy: -55.931390
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: 1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -234.579993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.579993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.579993 (E_RNA)
where:
Base-Base interactions energy: -164.857
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.850
local terms energy: -68.872536
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -11.164
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: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -216.339640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.339640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.339640 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.092
local terms energy: -78.235368
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -237.255197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.255197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.255197 (E_RNA)
where:
Base-Base interactions energy: -161.971
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.717
local terms energy: -74.567097
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -238.159802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.159802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.159802 (E_RNA)
where:
Base-Base interactions energy: -163.745
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.439
local terms energy: -73.976355
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -226.300401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.300401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.300401 (E_RNA)
where:
Base-Base interactions energy: -154.732
where: short stacking energy: -75.531
Base-Backbone interact. energy: -0.316
local terms energy: -71.251729
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -173.450000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.450000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.450000 (E_RNA)
where:
Base-Base interactions energy: -111.647
where: short stacking energy: -61.108
Base-Backbone interact. energy: -0.110
local terms energy: -61.692802
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -87.783710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.783710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.783710 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -31.550
Base-Backbone interact. energy: -0.591
local terms energy: -50.177233
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -9.520
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: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -87.569507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.569507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.569507 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -43.608
Base-Backbone interact. energy: 1.108
local terms energy: -45.397725
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -6.752
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.867
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: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -80.125990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.125990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.125990 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -25.906
Base-Backbone interact. energy: -0.251
local terms energy: -48.509108
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.998
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: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -80.586446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.586446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.586446 (E_RNA)
where:
Base-Base interactions energy: -28.123
where: short stacking energy: -24.722
Base-Backbone interact. energy: -0.144
local terms energy: -52.319435
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -8.378
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: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -215.759291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.759291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.759291 (E_RNA)
where:
Base-Base interactions energy: -135.905
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.189
local terms energy: -79.665907
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -255.153033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.153033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.153033 (E_RNA)
where:
Base-Base interactions energy: -172.883
where: short stacking energy: -67.804
Base-Backbone interact. energy: -0.809
local terms energy: -81.461515
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -245.028866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.028866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.028866 (E_RNA)
where:
Base-Base interactions energy: -168.544
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.125
local terms energy: -76.360179
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -236.789074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.789074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.789074 (E_RNA)
where:
Base-Base interactions energy: -163.430
where: short stacking energy: -64.122
Base-Backbone interact. energy: -1.328
local terms energy: -72.030828
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -8.926
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: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -212.790452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.790452 (E_RNA)
where:
Base-Base interactions energy: -143.372
where: short stacking energy: -63.116
Base-Backbone interact. energy: 0.866
local terms energy: -70.284627
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -10.569
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: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -175.772457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.772457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.772457 (E_RNA)
where:
Base-Base interactions energy: -104.558
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.284
local terms energy: -70.930321
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -122.416041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.416041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.416041 (E_RNA)
where:
Base-Base interactions energy: -67.783
where: short stacking energy: -32.961
Base-Backbone interact. energy: -0.110
local terms energy: -54.522899
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -103.017829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017829 (E_RNA)
where:
Base-Base interactions energy: -51.213
where: short stacking energy: -26.376
Base-Backbone interact. energy: -0.631
local terms energy: -51.173537
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -93.099312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.099312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.099312 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -37.646
Base-Backbone interact. energy: 0.362
local terms energy: -54.996217
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -80.416907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.416907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.416907 (E_RNA)
where:
Base-Base interactions energy: -27.403
where: short stacking energy: -27.403
Base-Backbone interact. energy: -0.405
local terms energy: -52.608086
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -213.787392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.787392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.787392 (E_RNA)
where:
Base-Base interactions energy: -131.485
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.073
local terms energy: -82.229043
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -19.673
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: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -241.509791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.509791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.509791 (E_RNA)
where:
Base-Base interactions energy: -163.481
where: short stacking energy: -72.263
Base-Backbone interact. energy: -0.060
local terms energy: -77.968879
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -245.937806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.937806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.937806 (E_RNA)
where:
Base-Base interactions energy: -173.082
where: short stacking energy: -73.153
Base-Backbone interact. energy: -1.096
local terms energy: -71.760051
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -230.405203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.405203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.405203 (E_RNA)
where:
Base-Base interactions energy: -150.260
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.320
local terms energy: -79.825269
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -208.159833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.159833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.159833 (E_RNA)
where:
Base-Base interactions energy: -147.880
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.582
local terms energy: -59.697555
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -8.322
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: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -185.572048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.572048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.572048 (E_RNA)
where:
Base-Base interactions energy: -112.332
where: short stacking energy: -51.889
Base-Backbone interact. energy: -0.501
local terms energy: -72.738301
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -96.415685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.415685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.415685 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -15.813
Base-Backbone interact. energy: -3.802
local terms energy: -58.250037
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -100.853082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.853082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.853082 (E_RNA)
where:
Base-Base interactions energy: -43.987
where: short stacking energy: -29.162
Base-Backbone interact. energy: -0.334
local terms energy: -56.531942
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -13.284
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: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -89.748011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.748011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.748011 (E_RNA)
where:
Base-Base interactions energy: -32.078
where: short stacking energy: -32.078
Base-Backbone interact. energy: 0.226
local terms energy: -57.896063
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -86.757802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.757802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.757802 (E_RNA)
where:
Base-Base interactions energy: -35.889
where: short stacking energy: -30.200
Base-Backbone interact. energy: -0.225
local terms energy: -50.643774
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -241.213093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.213093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.213093 (E_RNA)
where:
Base-Base interactions energy: -162.609
where: short stacking energy: -70.790
Base-Backbone interact. energy: -0.231
local terms energy: -78.372998
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -209.709325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.709325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.709325 (E_RNA)
where:
Base-Base interactions energy: -132.098
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.129
local terms energy: -77.481818
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -15.805
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: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -227.953180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.953180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.953180 (E_RNA)
where:
Base-Base interactions energy: -155.185
where: short stacking energy: -59.422
Base-Backbone interact. energy: -0.672
local terms energy: -72.095658
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -222.012570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.012570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.012570 (E_RNA)
where:
Base-Base interactions energy: -152.977
where: short stacking energy: -69.522
Base-Backbone interact. energy: -0.049
local terms energy: -68.987162
where:
bonds (distance) C4'-P energy: -6.591
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -225.706316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.706316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.706316 (E_RNA)
where:
Base-Base interactions energy: -156.935
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.209
local terms energy: -68.562080
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -189.555267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.555267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.555267 (E_RNA)
where:
Base-Base interactions energy: -113.408
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.002
local terms energy: -76.144991
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -111.198275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.198275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.198275 (E_RNA)
where:
Base-Base interactions energy: -52.501
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.149
local terms energy: -58.547923
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -95.081868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.081868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.081868 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -23.309
Base-Backbone interact. energy: -0.419
local terms energy: -56.197401
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -79.247770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.247770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.247770 (E_RNA)
where:
Base-Base interactions energy: -25.968
where: short stacking energy: -21.605
Base-Backbone interact. energy: -0.453
local terms energy: -52.826730
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: 5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -82.595152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.595152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.595152 (E_RNA)
where:
Base-Base interactions energy: -30.635
where: short stacking energy: -28.014
Base-Backbone interact. energy: -0.120
local terms energy: -51.839788
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -246.653447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.653447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.653447 (E_RNA)
where:
Base-Base interactions energy: -165.736
where: short stacking energy: -69.821
Base-Backbone interact. energy: -0.472
local terms energy: -80.445673
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -13.112
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: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -249.319543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.319543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.319543 (E_RNA)
where:
Base-Base interactions energy: -174.394
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.201
local terms energy: -74.724603
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -204.040283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.040283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.040283 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -64.934
Base-Backbone interact. energy: 0.584
local terms energy: -73.907543
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -227.392368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.392368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.392368 (E_RNA)
where:
Base-Base interactions energy: -151.472
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.289
local terms energy: -75.631348
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -220.826667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.826667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.826667 (E_RNA)
where:
Base-Base interactions energy: -149.907
where: short stacking energy: -61.972
Base-Backbone interact. energy: 0.997
local terms energy: -71.917051
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -15.968
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: 479
Temperature: 1.150000
Total energy: -188.823226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.823226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.823226 (E_RNA)
where:
Base-Base interactions energy: -118.334
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.195
local terms energy: -70.294081
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -15.946
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: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -94.562429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.562429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.562429 (E_RNA)
where:
Base-Base interactions energy: -36.889
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.282
local terms energy: -57.391257
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.747
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: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -120.766471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.766471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.766471 (E_RNA)
where:
Base-Base interactions energy: -64.203
where: short stacking energy: -33.380
Base-Backbone interact. energy: -0.458
local terms energy: -56.104798
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -120.224679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.224679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.224679 (E_RNA)
where:
Base-Base interactions energy: -68.271
where: short stacking energy: -30.561
Base-Backbone interact. energy: -0.950
local terms energy: -51.003652
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -79.858201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.858201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.858201 (E_RNA)
where:
Base-Base interactions energy: -24.143
where: short stacking energy: -24.143
Base-Backbone interact. energy: -0.216
local terms energy: -55.499209
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -258.105248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.105248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.105248 (E_RNA)
where:
Base-Base interactions energy: -182.234
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.278
local terms energy: -75.593543
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -13.721
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: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -238.055146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.055146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.055146 (E_RNA)
where:
Base-Base interactions energy: -154.824
where: short stacking energy: -68.543
Base-Backbone interact. energy: -0.222
local terms energy: -83.008796
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -12.201
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: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -240.292764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.292764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.292764 (E_RNA)
where:
Base-Base interactions energy: -168.752
where: short stacking energy: -68.534
Base-Backbone interact. energy: -0.201
local terms energy: -71.339807
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.396
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: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -207.940640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.940640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.940640 (E_RNA)
where:
Base-Base interactions energy: -123.619
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.152
local terms energy: -84.170486
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -215.263056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.263056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.263056 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -60.363
Base-Backbone interact. energy: -0.322
local terms energy: -70.208743
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -161.839294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.839294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.839294 (E_RNA)
where:
Base-Base interactions energy: -90.487
where: short stacking energy: -47.391
Base-Backbone interact. energy: -0.090
local terms energy: -71.262197
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -99.104678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.104678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.104678 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -33.969
Base-Backbone interact. energy: 0.411
local terms energy: -55.573882
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -85.956073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.956073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.956073 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.282
local terms energy: -52.331070
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -153.043869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.043869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.043869 (E_RNA)
where:
Base-Base interactions energy: -93.215
where: short stacking energy: -51.530
Base-Backbone interact. energy: 1.346
local terms energy: -61.174931
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.788
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: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -84.278249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.278249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.278249 (E_RNA)
where:
Base-Base interactions energy: -33.342
where: short stacking energy: -29.224
Base-Backbone interact. energy: 0.068
local terms energy: -51.004576
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -4.452
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: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -257.085393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.085393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.085393 (E_RNA)
where:
Base-Base interactions energy: -188.705
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.265
local terms energy: -68.115462
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -7.352
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: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -229.082894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.082894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.082894 (E_RNA)
where:
Base-Base interactions energy: -156.587
where: short stacking energy: -76.185
Base-Backbone interact. energy: -1.803
local terms energy: -70.692118
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.937
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: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -236.521997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.521997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.521997 (E_RNA)
where:
Base-Base interactions energy: -161.442
where: short stacking energy: -73.533
Base-Backbone interact. energy: -0.235
local terms energy: -74.845756
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -17.893
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -201.152306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.152306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.152306 (E_RNA)
where:
Base-Base interactions energy: -125.380
where: short stacking energy: -61.216
Base-Backbone interact. energy: -0.000
local terms energy: -75.771849
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -18.899
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: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -213.056199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.056199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.056199 (E_RNA)
where:
Base-Base interactions energy: -145.798
where: short stacking energy: -66.447
Base-Backbone interact. energy: 0.354
local terms energy: -67.612435
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -116.023662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.023662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.023662 (E_RNA)
where:
Base-Base interactions energy: -52.345
where: short stacking energy: -43.748
Base-Backbone interact. energy: -0.078
local terms energy: -63.601057
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -163.897517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.897517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.897517 (E_RNA)
where:
Base-Base interactions energy: -108.189
where: short stacking energy: -50.625
Base-Backbone interact. energy: -0.635
local terms energy: -55.073686
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -135.182918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.182918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.182918 (E_RNA)
where:
Base-Base interactions energy: -77.842
where: short stacking energy: -34.835
Base-Backbone interact. energy: -0.151
local terms energy: -57.189825
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -6.190
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: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -96.547019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.547019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.547019 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -32.705
Base-Backbone interact. energy: -0.321
local terms energy: -59.403734
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -83.977925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.977925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.977925 (E_RNA)
where:
Base-Base interactions energy: -26.527
where: short stacking energy: -26.935
Base-Backbone interact. energy: -0.350
local terms energy: -57.101569
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -7.654
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: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -259.327517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.327517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.327517 (E_RNA)
where:
Base-Base interactions energy: -187.957
where: short stacking energy: -61.767
Base-Backbone interact. energy: 0.476
local terms energy: -71.846325
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -242.003694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.003694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.003694 (E_RNA)
where:
Base-Base interactions energy: -163.152
where: short stacking energy: -65.930
Base-Backbone interact. energy: -0.479
local terms energy: -78.373303
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -237.123576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.123576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.123576 (E_RNA)
where:
Base-Base interactions energy: -166.695
where: short stacking energy: -74.988
Base-Backbone interact. energy: 2.865
local terms energy: -73.294401
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -18.092
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: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -209.164846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.164846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.164846 (E_RNA)
where:
Base-Base interactions energy: -134.542
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.011
local terms energy: -74.611552
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.322
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: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -207.291805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.291805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.291805 (E_RNA)
where:
Base-Base interactions energy: -136.264
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.311
local terms energy: -70.717050
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -115.052890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.052890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.052890 (E_RNA)
where:
Base-Base interactions energy: -47.994
where: short stacking energy: -47.994
Base-Backbone interact. energy: -0.257
local terms energy: -66.802304
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -172.332243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.332243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.332243 (E_RNA)
where:
Base-Base interactions energy: -107.420
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.757
local terms energy: -64.154617
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -17.959
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: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -153.615248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.615248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.615248 (E_RNA)
where:
Base-Base interactions energy: -97.364
where: short stacking energy: -50.489
Base-Backbone interact. energy: -0.228
local terms energy: -56.022809
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -107.376685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.376685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.376685 (E_RNA)
where:
Base-Base interactions energy: -46.716
where: short stacking energy: -36.374
Base-Backbone interact. energy: -0.874
local terms energy: -59.786127
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.304
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: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -84.610151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.610151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.610151 (E_RNA)
where:
Base-Base interactions energy: -29.084
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.368
local terms energy: -55.157410
where:
bonds (distance) C4'-P energy: -6.896
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -248.008133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.008133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.008133 (E_RNA)
where:
Base-Base interactions energy: -180.295
where: short stacking energy: -72.104
Base-Backbone interact. energy: 4.097
local terms energy: -71.810060
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -242.803330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.803330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.803330 (E_RNA)
where:
Base-Base interactions energy: -164.976
where: short stacking energy: -73.728
Base-Backbone interact. energy: -0.063
local terms energy: -77.763843
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -237.788536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.788536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.788536 (E_RNA)
where:
Base-Base interactions energy: -157.124
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.437
local terms energy: -80.227826
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -227.773455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.773455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.773455 (E_RNA)
where:
Base-Base interactions energy: -152.650
where: short stacking energy: -68.014
Base-Backbone interact. energy: 0.453
local terms energy: -75.576629
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -193.113690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.113690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.113690 (E_RNA)
where:
Base-Base interactions energy: -122.836
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.271
local terms energy: -70.006565
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -150.062058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.062058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.062058 (E_RNA)
where:
Base-Base interactions energy: -87.109
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.063
local terms energy: -62.890472
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -103.605488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.605488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.605488 (E_RNA)
where:
Base-Base interactions energy: -47.063
where: short stacking energy: -34.409
Base-Backbone interact. energy: -0.128
local terms energy: -56.414932
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -154.924744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.924744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.924744 (E_RNA)
where:
Base-Base interactions energy: -96.180
where: short stacking energy: -53.443
Base-Backbone interact. energy: -0.006
local terms energy: -58.738649
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -2.260
tors. eta vs tors. theta energy: -14.038
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: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -88.235628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.235628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.235628 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.004
local terms energy: -51.839670
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -85.578823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.578823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.578823 (E_RNA)
where:
Base-Base interactions energy: -25.695
where: short stacking energy: -23.011
Base-Backbone interact. energy: -0.174
local terms energy: -59.710088
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -12.789
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: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -247.865699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.865699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.865699 (E_RNA)
where:
Base-Base interactions energy: -169.235
where: short stacking energy: -67.761
Base-Backbone interact. energy: 2.421
local terms energy: -81.051864
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -12.228
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: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -240.164688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.164688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.164688 (E_RNA)
where:
Base-Base interactions energy: -160.250
where: short stacking energy: -71.530
Base-Backbone interact. energy: 0.406
local terms energy: -80.321049
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -232.312180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.312180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.312180 (E_RNA)
where:
Base-Base interactions energy: -156.799
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.239
local terms energy: -75.274377
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -241.062379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.062379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.062379 (E_RNA)
where:
Base-Base interactions energy: -161.114
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.249
local terms energy: -79.699920
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -186.725183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.725183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.725183 (E_RNA)
where:
Base-Base interactions energy: -116.730
where: short stacking energy: -46.272
Base-Backbone interact. energy: 0.048
local terms energy: -70.043398
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -13.014
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: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -151.197336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.197336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.197336 (E_RNA)
where:
Base-Base interactions energy: -87.110
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.036
local terms energy: -64.051219
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -10.048
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: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -133.684678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.684678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.684678 (E_RNA)
where:
Base-Base interactions energy: -75.652
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.022
local terms energy: -58.011254
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -89.661760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.661760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.661760 (E_RNA)
where:
Base-Base interactions energy: -29.891
where: short stacking energy: -24.906
Base-Backbone interact. energy: 0.276
local terms energy: -60.047492
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -10.399
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: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -89.328213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328213 (E_RNA)
where:
Base-Base interactions energy: -23.339
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.247
local terms energy: -65.742615
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -71.911515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.911515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.911515 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.206
local terms energy: -37.306355
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: 3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -240.117266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.117266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.117266 (E_RNA)
where:
Base-Base interactions energy: -156.154
where: short stacking energy: -65.816
Base-Backbone interact. energy: -1.016
local terms energy: -82.947515
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -237.695326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.695326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.695326 (E_RNA)
where:
Base-Base interactions energy: -159.733
where: short stacking energy: -75.503
Base-Backbone interact. energy: -0.179
local terms energy: -77.783259
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -11.206
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: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -253.674744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.674744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.674744 (E_RNA)
where:
Base-Base interactions energy: -180.754
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.354
local terms energy: -72.567284
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -226.876928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.876928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.876928 (E_RNA)
where:
Base-Base interactions energy: -156.277
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.459
local terms energy: -70.140458
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -184.439100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.439100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.439100 (E_RNA)
where:
Base-Base interactions energy: -114.610
where: short stacking energy: -63.676
Base-Backbone interact. energy: -0.216
local terms energy: -69.613080
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -21.515
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: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -165.072575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.072575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.072575 (E_RNA)
where:
Base-Base interactions energy: -100.854
where: short stacking energy: -57.622
Base-Backbone interact. energy: -0.048
local terms energy: -64.170403
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -11.960
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: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -134.868719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.868719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.868719 (E_RNA)
where:
Base-Base interactions energy: -72.398
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.369
local terms energy: -62.102609
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -98.675734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.675734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.675734 (E_RNA)
where:
Base-Base interactions energy: -46.633
where: short stacking energy: -43.320
Base-Backbone interact. energy: 1.178
local terms energy: -53.220664
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -7.045
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: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -83.585554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585554 (E_RNA)
where:
Base-Base interactions energy: -36.075
where: short stacking energy: -26.961
Base-Backbone interact. energy: -0.366
local terms energy: -47.144982
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -89.166708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.166708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.166708 (E_RNA)
where:
Base-Base interactions energy: -47.046
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.216
local terms energy: -41.905545
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: 0.615
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: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -235.828856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.828856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.828856 (E_RNA)
where:
Base-Base interactions energy: -160.657
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.238
local terms energy: -74.933468
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -18.702
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: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -234.683204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.683204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.683204 (E_RNA)
where:
Base-Base interactions energy: -165.559
where: short stacking energy: -75.581
Base-Backbone interact. energy: -0.196
local terms energy: -68.927843
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -8.634
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -226.533517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.533517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.533517 (E_RNA)
where:
Base-Base interactions energy: -150.100
where: short stacking energy: -65.362
Base-Backbone interact. energy: 0.303
local terms energy: -76.736231
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -249.383330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.383330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.383330 (E_RNA)
where:
Base-Base interactions energy: -175.774
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.375
local terms energy: -73.234095
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.719
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: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -193.094286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.094286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.094286 (E_RNA)
where:
Base-Base interactions energy: -120.189
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.707
local terms energy: -72.198270
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -169.701750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.701750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.701750 (E_RNA)
where:
Base-Base interactions energy: -107.613
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.083
local terms energy: -62.005514
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -6.556
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -146.113211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.113211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.113211 (E_RNA)
where:
Base-Base interactions energy: -97.372
where: short stacking energy: -40.269
Base-Backbone interact. energy: -0.302
local terms energy: -48.439776
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -92.095662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.095662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.095662 (E_RNA)
where:
Base-Base interactions energy: -39.235
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.073
local terms energy: -52.787777
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -94.642204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.642204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.642204 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -33.954
Base-Backbone interact. energy: 0.392
local terms energy: -61.079842
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -79.797153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.797153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.797153 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.455
local terms energy: -44.832754
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -5.059
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: 2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -238.949836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.949836 (E_RNA)
where:
Base-Base interactions energy: -158.556
where: short stacking energy: -72.866
Base-Backbone interact. energy: 0.077
local terms energy: -80.470716
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -235.639895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.639895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.639895 (E_RNA)
where:
Base-Base interactions energy: -163.416
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.149
local terms energy: -72.075517
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -230.120204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.120204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.120204 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -72.936
Base-Backbone interact. energy: -0.324
local terms energy: -80.347965
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -236.936183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.936183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.936183 (E_RNA)
where:
Base-Base interactions energy: -170.352
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.766
local terms energy: -65.818222
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -193.152184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.152184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.152184 (E_RNA)
where:
Base-Base interactions energy: -122.501
where: short stacking energy: -58.398
Base-Backbone interact. energy: -0.254
local terms energy: -70.397786
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -171.846883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.846883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.846883 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -59.241
Base-Backbone interact. energy: 1.021
local terms energy: -62.819899
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -141.049889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.049889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.049889 (E_RNA)
where:
Base-Base interactions energy: -82.384
where: short stacking energy: -32.979
Base-Backbone interact. energy: 0.239
local terms energy: -58.904511
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -13.106
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: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -93.063739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.063739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.063739 (E_RNA)
where:
Base-Base interactions energy: -48.387
where: short stacking energy: -22.767
Base-Backbone interact. energy: -1.299
local terms energy: -43.377072
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: 1.867
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: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -91.215222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.215222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.215222 (E_RNA)
where:
Base-Base interactions energy: -29.762
where: short stacking energy: -25.855
Base-Backbone interact. energy: -0.252
local terms energy: -61.201228
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -84.988166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.988166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.988166 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -27.683
Base-Backbone interact. energy: 0.176
local terms energy: -53.856528
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -4.545
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: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -236.689416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.689416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.689416 (E_RNA)
where:
Base-Base interactions energy: -154.432
where: short stacking energy: -76.096
Base-Backbone interact. energy: -0.138
local terms energy: -82.119203
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -248.515539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.515539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.515539 (E_RNA)
where:
Base-Base interactions energy: -167.082
where: short stacking energy: -75.901
Base-Backbone interact. energy: 0.932
local terms energy: -82.365344
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -244.948163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.948163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.948163 (E_RNA)
where:
Base-Base interactions energy: -166.442
where: short stacking energy: -67.953
Base-Backbone interact. energy: 0.330
local terms energy: -78.836012
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -18.922
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: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -209.140589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.140589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.140589 (E_RNA)
where:
Base-Base interactions energy: -140.969
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.501
local terms energy: -67.670956
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -199.864471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.864471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.864471 (E_RNA)
where:
Base-Base interactions energy: -131.521
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.004
local terms energy: -68.339577
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -11.133
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: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -167.791945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.791945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.791945 (E_RNA)
where:
Base-Base interactions energy: -99.221
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.164
local terms energy: -68.406242
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -149.523768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.523768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.523768 (E_RNA)
where:
Base-Base interactions energy: -90.672
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.278
local terms energy: -58.573774
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -92.149015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.149015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.149015 (E_RNA)
where:
Base-Base interactions energy: -40.844
where: short stacking energy: -37.484
Base-Backbone interact. energy: -0.566
local terms energy: -50.738912
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: 0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -117.875243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.875243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.875243 (E_RNA)
where:
Base-Base interactions energy: -55.828
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.121
local terms energy: -61.926283
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -79.505344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.505344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.505344 (E_RNA)
where:
Base-Base interactions energy: -26.133
where: short stacking energy: -25.822
Base-Backbone interact. energy: 0.015
local terms energy: -53.387098
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -241.308272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.308272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.308272 (E_RNA)
where:
Base-Base interactions energy: -164.157
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.095
local terms energy: -77.056478
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -243.060278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.060278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.060278 (E_RNA)
where:
Base-Base interactions energy: -173.488
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.386
local terms energy: -69.186235
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -14.944
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: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -241.267971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.267971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.267971 (E_RNA)
where:
Base-Base interactions energy: -161.432
where: short stacking energy: -68.335
Base-Backbone interact. energy: -0.271
local terms energy: -79.565424
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -8.340
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: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -208.772741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.772741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.772741 (E_RNA)
where:
Base-Base interactions energy: -132.490
where: short stacking energy: -64.026
Base-Backbone interact. energy: -0.002
local terms energy: -76.280269
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -212.168915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.168915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.168915 (E_RNA)
where:
Base-Base interactions energy: -147.371
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.052
local terms energy: -64.745253
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -156.817589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.817589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.817589 (E_RNA)
where:
Base-Base interactions energy: -93.516
where: short stacking energy: -48.510
Base-Backbone interact. energy: 0.612
local terms energy: -63.914225
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -151.888787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.888787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.888787 (E_RNA)
where:
Base-Base interactions energy: -91.017
where: short stacking energy: -48.908
Base-Backbone interact. energy: -0.034
local terms energy: -60.837683
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -103.004783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.004783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.004783 (E_RNA)
where:
Base-Base interactions energy: -55.528
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.589
local terms energy: -46.888022
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: 3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -87.976472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.976472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.976472 (E_RNA)
where:
Base-Base interactions energy: -32.839
where: short stacking energy: -19.087
Base-Backbone interact. energy: -0.572
local terms energy: -54.566240
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -84.944825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.944825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.944825 (E_RNA)
where:
Base-Base interactions energy: -31.559
where: short stacking energy: -28.130
Base-Backbone interact. energy: 3.628
local terms energy: -57.013581
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.511
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: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -251.207798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.207798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.207798 (E_RNA)
where:
Base-Base interactions energy: -166.352
where: short stacking energy: -67.353
Base-Backbone interact. energy: -0.583
local terms energy: -84.272340
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -253.843370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.843370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.843370 (E_RNA)
where:
Base-Base interactions energy: -174.091
where: short stacking energy: -72.498
Base-Backbone interact. energy: -0.254
local terms energy: -79.498406
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -235.754795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.754795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.754795 (E_RNA)
where:
Base-Base interactions energy: -156.996
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.299
local terms energy: -78.459433
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -202.772338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.772338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.772338 (E_RNA)
where:
Base-Base interactions energy: -119.546
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.002
local terms energy: -83.224151
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -14.694
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: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -203.619012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.619012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.619012 (E_RNA)
where:
Base-Base interactions energy: -135.454
where: short stacking energy: -54.947
Base-Backbone interact. energy: -0.273
local terms energy: -67.892162
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -141.014685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.014685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.014685 (E_RNA)
where:
Base-Base interactions energy: -78.083
where: short stacking energy: -36.632
Base-Backbone interact. energy: -0.325
local terms energy: -62.606310
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -145.344276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.344276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.344276 (E_RNA)
where:
Base-Base interactions energy: -86.740
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.174
local terms energy: -58.430227
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -94.734803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.734803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.734803 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -21.306
Base-Backbone interact. energy: 0.310
local terms energy: -64.138118
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.603
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: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -97.566912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.566912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.566912 (E_RNA)
where:
Base-Base interactions energy: -43.295
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.009
local terms energy: -54.263096
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -101.348743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.348743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.348743 (E_RNA)
where:
Base-Base interactions energy: -47.637
where: short stacking energy: -37.445
Base-Backbone interact. energy: 1.947
local terms energy: -55.658415
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -8.304
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: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -260.747642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.747642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.747642 (E_RNA)
where:
Base-Base interactions energy: -195.029
where: short stacking energy: -65.481
Base-Backbone interact. energy: -0.271
local terms energy: -65.446802
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -248.168593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.168593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.168593 (E_RNA)
where:
Base-Base interactions energy: -168.913
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.586
local terms energy: -78.669668
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -20.594
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: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -236.662782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.662782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.662782 (E_RNA)
where:
Base-Base interactions energy: -157.371
where: short stacking energy: -66.707
Base-Backbone interact. energy: -0.106
local terms energy: -79.185854
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -224.483737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.483737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.483737 (E_RNA)
where:
Base-Base interactions energy: -140.488
where: short stacking energy: -64.086
Base-Backbone interact. energy: -0.239
local terms energy: -83.756564
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -20.040
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: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -193.513538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.513538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.513538 (E_RNA)
where:
Base-Base interactions energy: -119.447
where: short stacking energy: -55.937
Base-Backbone interact. energy: -0.186
local terms energy: -73.881109
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -9.230
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: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -191.799839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.799839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.799839 (E_RNA)
where:
Base-Base interactions energy: -117.052
where: short stacking energy: -45.604
Base-Backbone interact. energy: -0.686
local terms energy: -74.062172
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.726
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: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -120.786058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.786058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.786058 (E_RNA)
where:
Base-Base interactions energy: -56.886
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.098
local terms energy: -63.801517
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -101.500083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.500083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.500083 (E_RNA)
where:
Base-Base interactions energy: -39.315
where: short stacking energy: -34.839
Base-Backbone interact. energy: -0.507
local terms energy: -61.677863
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -86.443278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.443278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.443278 (E_RNA)
where:
Base-Base interactions energy: -33.855
where: short stacking energy: -33.855
Base-Backbone interact. energy: -0.039
local terms energy: -52.548668
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -83.672968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.672968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.672968 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -29.053
Base-Backbone interact. energy: -0.127
local terms energy: -49.999167
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -250.335031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.335031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.335031 (E_RNA)
where:
Base-Base interactions energy: -169.167
where: short stacking energy: -76.764
Base-Backbone interact. energy: -0.694
local terms energy: -80.473374
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -19.434
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: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -249.049334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.049334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.049334 (E_RNA)
where:
Base-Base interactions energy: -172.940
where: short stacking energy: -68.827
Base-Backbone interact. energy: 0.119
local terms energy: -76.228360
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -232.942732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.942732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.942732 (E_RNA)
where:
Base-Base interactions energy: -155.005
where: short stacking energy: -67.136
Base-Backbone interact. energy: 1.548
local terms energy: -79.486021
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -225.442734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.442734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.442734 (E_RNA)
where:
Base-Base interactions energy: -150.478
where: short stacking energy: -72.278
Base-Backbone interact. energy: -0.634
local terms energy: -74.330493
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -207.648691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.648691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.648691 (E_RNA)
where:
Base-Base interactions energy: -130.033
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.024
local terms energy: -77.591720
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -20.435
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: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -168.435121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.435121 (E_RNA)
where:
Base-Base interactions energy: -102.396
where: short stacking energy: -60.848
Base-Backbone interact. energy: 0.548
local terms energy: -66.586994
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -11.589
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: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -101.202876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.202876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.202876 (E_RNA)
where:
Base-Base interactions energy: -44.183
where: short stacking energy: -35.788
Base-Backbone interact. energy: 0.589
local terms energy: -57.608964
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -87.481218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.481218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.481218 (E_RNA)
where:
Base-Base interactions energy: -38.042
where: short stacking energy: -19.711
Base-Backbone interact. energy: -1.488
local terms energy: -47.950619
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -87.282678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.282678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.282678 (E_RNA)
where:
Base-Base interactions energy: -38.493
where: short stacking energy: -22.335
Base-Backbone interact. energy: 1.325
local terms energy: -50.114600
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: 5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -85.572396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.572396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.572396 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -32.915
Base-Backbone interact. energy: 0.663
local terms energy: -52.513741
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -2.945
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: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -243.422036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.422036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.422036 (E_RNA)
where:
Base-Base interactions energy: -165.537
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.553
local terms energy: -77.331855
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -236.579732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.579732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.579732 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -63.215
Base-Backbone interact. energy: -0.252
local terms energy: -73.818296
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -241.601170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.601170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.601170 (E_RNA)
where:
Base-Base interactions energy: -165.353
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.237
local terms energy: -76.011016
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -10.716
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: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -187.971964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.971964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.971964 (E_RNA)
where:
Base-Base interactions energy: -113.646
where: short stacking energy: -62.006
Base-Backbone interact. energy: 0.676
local terms energy: -75.002377
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -13.615
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: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -222.631842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.631842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.631842 (E_RNA)
where:
Base-Base interactions energy: -143.091
where: short stacking energy: -69.026
Base-Backbone interact. energy: -0.855
local terms energy: -78.685313
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -167.625500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.625500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.625500 (E_RNA)
where:
Base-Base interactions energy: -104.161
where: short stacking energy: -51.388
Base-Backbone interact. energy: -0.187
local terms energy: -63.277861
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -95.347833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.347833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.347833 (E_RNA)
where:
Base-Base interactions energy: -43.469
where: short stacking energy: -17.272
Base-Backbone interact. energy: -0.996
local terms energy: -50.882498
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -86.838507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.838507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.838507 (E_RNA)
where:
Base-Base interactions energy: -32.657
where: short stacking energy: -32.478
Base-Backbone interact. energy: -0.023
local terms energy: -54.158041
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -5.767
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: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -101.173934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.173934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.173934 (E_RNA)
where:
Base-Base interactions energy: -33.689
where: short stacking energy: -33.689
Base-Backbone interact. energy: -0.871
local terms energy: -66.613655
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -7.605
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: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -88.643916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.643916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.643916 (E_RNA)
where:
Base-Base interactions energy: -35.174
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.167
local terms energy: -53.302504
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -3.314
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: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -244.014060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.014060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.014060 (E_RNA)
where:
Base-Base interactions energy: -167.565
where: short stacking energy: -71.526
Base-Backbone interact. energy: 0.663
local terms energy: -77.111476
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -248.270579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.270579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.270579 (E_RNA)
where:
Base-Base interactions energy: -167.715
where: short stacking energy: -69.911
Base-Backbone interact. energy: -0.265
local terms energy: -80.290400
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -238.931727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.931727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.931727 (E_RNA)
where:
Base-Base interactions energy: -165.001
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.322
local terms energy: -73.608485
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -194.740201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.740201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.740201 (E_RNA)
where:
Base-Base interactions energy: -124.915
where: short stacking energy: -59.974
Base-Backbone interact. energy: 1.311
local terms energy: -71.136508
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -217.358886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.358886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.358886 (E_RNA)
where:
Base-Base interactions energy: -148.410
where: short stacking energy: -60.693
Base-Backbone interact. energy: -0.258
local terms energy: -68.691077
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -12.786
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: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -201.747915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.747915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.747915 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.001
local terms energy: -70.912026
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.510
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: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -133.460302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.460302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.460302 (E_RNA)
where:
Base-Base interactions energy: -60.737
where: short stacking energy: -41.402
Base-Backbone interact. energy: -0.044
local terms energy: -72.678951
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -8.868
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: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -94.538230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.538230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.538230 (E_RNA)
where:
Base-Base interactions energy: -29.748
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.126
local terms energy: -64.664216
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -89.019111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.019111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.019111 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -32.819
Base-Backbone interact. energy: 0.212
local terms energy: -48.528852
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: 3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -84.114578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.114578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.114578 (E_RNA)
where:
Base-Base interactions energy: -26.927
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.007
local terms energy: -57.180813
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -5.408
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: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -248.550067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.550067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.550067 (E_RNA)
where:
Base-Base interactions energy: -171.952
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.414
local terms energy: -76.184679
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -16.062
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: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -244.568548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.568548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.568548 (E_RNA)
where:
Base-Base interactions energy: -174.571
where: short stacking energy: -68.031
Base-Backbone interact. energy: -0.355
local terms energy: -69.642088
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.063
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: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -234.903549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.903549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.903549 (E_RNA)
where:
Base-Base interactions energy: -162.456
where: short stacking energy: -65.977
Base-Backbone interact. energy: -1.026
local terms energy: -71.421989
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -9.586
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: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -229.817023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.817023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.817023 (E_RNA)
where:
Base-Base interactions energy: -165.138
where: short stacking energy: -69.201
Base-Backbone interact. energy: -0.271
local terms energy: -64.408005
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -184.115361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.115361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.115361 (E_RNA)
where:
Base-Base interactions energy: -110.943
where: short stacking energy: -63.492
Base-Backbone interact. energy: -0.102
local terms energy: -73.070553
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -10.878
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: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -146.545095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.545095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.545095 (E_RNA)
where:
Base-Base interactions energy: -88.876
where: short stacking energy: -47.046
Base-Backbone interact. energy: -0.156
local terms energy: -57.512164
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -193.979093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.979093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.979093 (E_RNA)
where:
Base-Base interactions energy: -122.340
where: short stacking energy: -63.479
Base-Backbone interact. energy: 0.580
local terms energy: -72.219732
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -110.931946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.931946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.931946 (E_RNA)
where:
Base-Base interactions energy: -64.344
where: short stacking energy: -28.864
Base-Backbone interact. energy: -0.224
local terms energy: -46.363931
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -90.849135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.849135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.849135 (E_RNA)
where:
Base-Base interactions energy: -35.596
where: short stacking energy: -35.596
Base-Backbone interact. energy: -0.117
local terms energy: -55.135420
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -6.356
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: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -85.784202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.784202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.784202 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -25.944
Base-Backbone interact. energy: -0.279
local terms energy: -48.652304
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -6.267
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: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -256.522162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.522162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.522162 (E_RNA)
where:
Base-Base interactions energy: -180.661
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.390
local terms energy: -75.470863
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -248.072584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.072584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.072584 (E_RNA)
where:
Base-Base interactions energy: -166.496
where: short stacking energy: -70.250
Base-Backbone interact. energy: -0.523
local terms energy: -81.053384
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -236.196927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.196927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.196927 (E_RNA)
where:
Base-Base interactions energy: -161.316
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.096
local terms energy: -74.784684
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -235.281557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.281557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.281557 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -63.903
Base-Backbone interact. energy: -0.120
local terms energy: -68.669281
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -174.240880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.240880 (E_RNA)
where:
Base-Base interactions energy: -102.701
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.133
local terms energy: -71.407495
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -186.018242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.018242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.018242 (E_RNA)
where:
Base-Base interactions energy: -113.845
where: short stacking energy: -66.025
Base-Backbone interact. energy: -0.094
local terms energy: -72.079712
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -190.419237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.419237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.419237 (E_RNA)
where:
Base-Base interactions energy: -120.472
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.037
local terms energy: -69.910443
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -0.509
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -131.292684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.292684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.292684 (E_RNA)
where:
Base-Base interactions energy: -76.854
where: short stacking energy: -40.199
Base-Backbone interact. energy: -0.105
local terms energy: -54.333689
where:
bonds (distance) C4'-P energy: -6.633
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -99.531341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.531341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.531341 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -30.065
Base-Backbone interact. energy: -0.164
local terms energy: -55.593109
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -7.539
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: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -82.367554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.367554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.367554 (E_RNA)
where:
Base-Base interactions energy: -30.373
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.088
local terms energy: -51.906536
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -8.009
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: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -245.508637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.508637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.508637 (E_RNA)
where:
Base-Base interactions energy: -177.241
where: short stacking energy: -72.922
Base-Backbone interact. energy: -0.502
local terms energy: -67.765462
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -241.820916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.820916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.820916 (E_RNA)
where:
Base-Base interactions energy: -164.162
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.101
local terms energy: -77.557897
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -246.625117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.625117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.625117 (E_RNA)
where:
Base-Base interactions energy: -170.374
where: short stacking energy: -67.824
Base-Backbone interact. energy: -0.081
local terms energy: -76.170114
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -228.873524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.873524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.873524 (E_RNA)
where:
Base-Base interactions energy: -156.535
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.923
local terms energy: -71.415077
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -183.101636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.101636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.101636 (E_RNA)
where:
Base-Base interactions energy: -110.659
where: short stacking energy: -56.705
Base-Backbone interact. energy: -0.170
local terms energy: -72.272964
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -12.545
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: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -168.781697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.781697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.781697 (E_RNA)
where:
Base-Base interactions energy: -107.238
where: short stacking energy: -48.481
Base-Backbone interact. energy: -0.081
local terms energy: -61.461849
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -163.870581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.870581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.870581 (E_RNA)
where:
Base-Base interactions energy: -99.935
where: short stacking energy: -49.879
Base-Backbone interact. energy: -0.130
local terms energy: -63.805789
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -102.025195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.025195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.025195 (E_RNA)
where:
Base-Base interactions energy: -49.079
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.016
local terms energy: -52.930304
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -6.797
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -94.355902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.355902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.355902 (E_RNA)
where:
Base-Base interactions energy: -39.306
where: short stacking energy: -24.858
Base-Backbone interact. energy: 0.876
local terms energy: -55.925784
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: 0.091
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: 497
Temperature: 1.350000
Total energy: -75.251497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.251497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.251497 (E_RNA)
where:
Base-Base interactions energy: -26.729
where: short stacking energy: -25.779
Base-Backbone interact. energy: -0.182
local terms energy: -48.340018
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -249.304584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.304584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.304584 (E_RNA)
where:
Base-Base interactions energy: -174.030
where: short stacking energy: -74.694
Base-Backbone interact. energy: 3.674
local terms energy: -78.948325
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -250.069918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.069918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.069918 (E_RNA)
where:
Base-Base interactions energy: -175.261
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.408
local terms energy: -74.400315
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -17.359
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: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -236.996017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.996017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.996017 (E_RNA)
where:
Base-Base interactions energy: -155.331
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.875
local terms energy: -80.789459
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -251.083276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.083276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.083276 (E_RNA)
where:
Base-Base interactions energy: -181.613
where: short stacking energy: -63.881
Base-Backbone interact. energy: 0.569
local terms energy: -70.039723
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -6.363
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: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -184.958098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.958098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.958098 (E_RNA)
where:
Base-Base interactions energy: -108.959
where: short stacking energy: -55.705
Base-Backbone interact. energy: -0.023
local terms energy: -75.976939
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -170.563710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.563710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.563710 (E_RNA)
where:
Base-Base interactions energy: -100.581
where: short stacking energy: -42.746
Base-Backbone interact. energy: 0.412
local terms energy: -70.395484
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.168
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: 498
Temperature: 1.200000
Total energy: -150.149405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.149405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.149405 (E_RNA)
where:
Base-Base interactions energy: -89.156
where: short stacking energy: -43.477
Base-Backbone interact. energy: 1.203
local terms energy: -62.197000
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -8.863
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: 498
Temperature: 1.250000
Total energy: -86.782385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.782385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.782385 (E_RNA)
where:
Base-Base interactions energy: -45.166
where: short stacking energy: -22.937
Base-Backbone interact. energy: -0.100
local terms energy: -41.516105
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -88.654454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.654454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.654454 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -38.022
Base-Backbone interact. energy: -0.036
local terms energy: -50.503561
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -90.189073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189073 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -36.006
Base-Backbone interact. energy: -0.108
local terms energy: -51.622104
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.738
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: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -248.617081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.617081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.617081 (E_RNA)
where:
Base-Base interactions energy: -171.208
where: short stacking energy: -68.539
Base-Backbone interact. energy: -1.425
local terms energy: -75.984251
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -239.695111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.695111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.695111 (E_RNA)
where:
Base-Base interactions energy: -163.726
where: short stacking energy: -69.023
Base-Backbone interact. energy: -1.026
local terms energy: -74.943013
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.870
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: 3, replica: 1
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -234.345031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.345031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.345031 (E_RNA)
where:
Base-Base interactions energy: -157.870
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.643
local terms energy: -75.831557
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -239.367757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.367757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.367757 (E_RNA)
where:
Base-Base interactions energy: -174.615
where: short stacking energy: -69.988
Base-Backbone interact. energy: -0.492
local terms energy: -64.260790
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -192.829759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.829759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.829759 (E_RNA)
where:
Base-Base interactions energy: -116.267
where: short stacking energy: -54.251
Base-Backbone interact. energy: 0.490
local terms energy: -77.053195
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -158.689426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.689426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.689426 (E_RNA)
where:
Base-Base interactions energy: -103.832
where: short stacking energy: -49.807
Base-Backbone interact. energy: -0.523
local terms energy: -54.334050
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -143.209269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.209269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.209269 (E_RNA)
where:
Base-Base interactions energy: -78.278
where: short stacking energy: -36.869
Base-Backbone interact. energy: -1.075
local terms energy: -63.856937
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -101.584831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.584831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.584831 (E_RNA)
where:
Base-Base interactions energy: -50.025
where: short stacking energy: -39.718
Base-Backbone interact. energy: -0.121
local terms energy: -51.438537
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -87.708783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.708783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.708783 (E_RNA)
where:
Base-Base interactions energy: -31.060
where: short stacking energy: -27.741
Base-Backbone interact. energy: 0.912
local terms energy: -57.559942
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -83.633252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.633252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.633252 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -22.013
Base-Backbone interact. energy: -0.333
local terms energy: -61.287485
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -246.900611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.900611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.900611 (E_RNA)
where:
Base-Base interactions energy: -168.386
where: short stacking energy: -74.559
Base-Backbone interact. energy: -0.306
local terms energy: -78.208643
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -240.466332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.466332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.466332 (E_RNA)
where:
Base-Base interactions energy: -162.356
where: short stacking energy: -73.689
Base-Backbone interact. energy: 0.930
local terms energy: -79.040366
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -7.804
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -244.672883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.672883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.672883 (E_RNA)
where:
Base-Base interactions energy: -169.534
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.268
local terms energy: -74.870833
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -12.652
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: 4, replica: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -233.101642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.101642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101642 (E_RNA)
where:
Base-Base interactions energy: -160.428
where: short stacking energy: -67.446
Base-Backbone interact. energy: 1.217
local terms energy: -73.890367
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -163.344569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.344569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.344569 (E_RNA)
where:
Base-Base interactions energy: -94.572
where: short stacking energy: -46.170
Base-Backbone interact. energy: -1.121
local terms energy: -67.650924
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -10.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -179.878746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.878746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.878746 (E_RNA)
where:
Base-Base interactions energy: -116.250
where: short stacking energy: -52.536
Base-Backbone interact. energy: 1.229
local terms energy: -64.857878
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -12.809
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: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -151.283566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.283566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.283566 (E_RNA)
where:
Base-Base interactions energy: -84.962
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.413
local terms energy: -65.907736
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -97.889984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.889984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.889984 (E_RNA)
where:
Base-Base interactions energy: -48.894
where: short stacking energy: -36.811
Base-Backbone interact. energy: -0.306
local terms energy: -48.690629
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -96.400067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.400067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.400067 (E_RNA)
where:
Base-Base interactions energy: -38.042
where: short stacking energy: -38.042
Base-Backbone interact. energy: -0.127
local terms energy: -58.231130
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.971
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: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -82.204214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.204214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.204214 (E_RNA)
where:
Base-Base interactions energy: -34.701
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.340
local terms energy: -47.163756
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -2.192
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: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -246.130005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.130005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.130005 (E_RNA)
where:
Base-Base interactions energy: -169.093
where: short stacking energy: -70.309
Base-Backbone interact. energy: -1.303
local terms energy: -75.733526
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -20.680
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: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -231.931933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.931933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.931933 (E_RNA)
where:
Base-Base interactions energy: -148.122
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.556
local terms energy: -83.254113
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -243.257586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.257586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.257586 (E_RNA)
where:
Base-Base interactions energy: -166.936
where: short stacking energy: -75.053
Base-Backbone interact. energy: -0.525
local terms energy: -75.796613
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -228.771598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.771598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.771598 (E_RNA)
where:
Base-Base interactions energy: -152.205
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.456
local terms energy: -76.110501
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -12.506
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: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -182.440376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.440376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.440376 (E_RNA)
where:
Base-Base interactions energy: -116.055
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.029
local terms energy: -66.356453
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -170.977251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.977251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.977251 (E_RNA)
where:
Base-Base interactions energy: -100.695
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.267
local terms energy: -70.015364
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -154.089682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.089682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.089682 (E_RNA)
where:
Base-Base interactions energy: -97.071
where: short stacking energy: -49.398
Base-Backbone interact. energy: -0.223
local terms energy: -56.795256
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -98.625303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.625303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.625303 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.024
local terms energy: -61.111437
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -82.110305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.110305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.110305 (E_RNA)
where:
Base-Base interactions energy: -39.456
where: short stacking energy: -28.202
Base-Backbone interact. energy: -0.029
local terms energy: -42.625718
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -9.195
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -83.301768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.301768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.301768 (E_RNA)
where:
Base-Base interactions energy: -20.963
where: short stacking energy: -20.963
Base-Backbone interact. energy: -0.123
local terms energy: -62.215180
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 16281186
moves confirmed later: 18757243
all moves confirmed: 35038429
percent of confirmed moves: 4.379804
current total energy: -221.674742
recalc. total energy: -221.674742
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15422842
moves confirmed later: 17679758
all moves confirmed: 33102600
percent of confirmed moves: 4.137825
current total energy: -222.856378
recalc. total energy: -222.856378
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 11431790
moves confirmed later: 12542751
all moves confirmed: 23974541
percent of confirmed moves: 2.996818
current total energy: -209.741141
recalc. total energy: -209.741141
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 23034886
moves confirmed later: 27658706
all moves confirmed: 50693592
percent of confirmed moves: 6.336699
current total energy: -205.957312
recalc. total energy: -205.957312
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 22760069
moves confirmed later: 27273882
all moves confirmed: 50033951
percent of confirmed moves: 6.254244
current total energy: -158.339059
recalc. total energy: -158.339059
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 21292585
moves confirmed later: 25322914
all moves confirmed: 46615499
percent of confirmed moves: 5.826937
current total energy: -100.651605
recalc. total energy: -100.651605
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 19229937
moves confirmed later: 22608402
all moves confirmed: 41838339
percent of confirmed moves: 5.229792
current total energy: -100.245819
recalc. total energy: -100.245819
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 24024436
moves confirmed later: 28865299
all moves confirmed: 52889735
percent of confirmed moves: 6.611217
current total energy: -37.339698
recalc. total energy: -37.339698
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 22406950
moves confirmed later: 26781582
all moves confirmed: 49188532
percent of confirmed moves: 6.148567
current total energy: -10.219362
recalc. total energy: -10.219362
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 25994418
moves confirmed later: 31528952
all moves confirmed: 57523370
percent of confirmed moves: 7.190421
current total energy: -32.329124
recalc. total energy: -32.329124
out arg RESULTS//1/JEV2-817fc5d5_01
Time of doing 8000000 iterations: 3512.916 seconds