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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/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/JEV4-ed55bda7/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/JEV4-ed55bda7/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 23 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -154.502078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.502078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.502078 (E_RNA)
where:
Base-Base interactions energy: -73.729
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.155
local terms energy: -80.617635
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -140.341282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.341282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.341282 (E_RNA)
where:
Base-Base interactions energy: -66.189
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.001
local terms energy: -74.152008
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -133.731914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.731914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.731914 (E_RNA)
where:
Base-Base interactions energy: -62.378
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.211
local terms energy: -71.142962
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -138.996423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.996423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.996423 (E_RNA)
where:
Base-Base interactions energy: -58.629
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.027
local terms energy: -80.340238
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -117.437372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.437372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.437372 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.061
local terms energy: -67.875211
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -132.217180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.217180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.217180 (E_RNA)
where:
Base-Base interactions energy: -73.229
where: short stacking energy: -33.916
Base-Backbone interact. energy: -1.033
local terms energy: -57.954465
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -109.743583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.743583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.743583 (E_RNA)
where:
Base-Base interactions energy: -43.198
where: short stacking energy: -43.198
Base-Backbone interact. energy: -0.000
local terms energy: -66.545533
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.631251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.631251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.631251 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -27.647
Base-Backbone interact. energy: -0.189
local terms energy: -61.133756
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -86.135056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.135056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.135056 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -84.533751
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -86.324433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324433 (E_RNA)
where:
Base-Base interactions energy: -35.730
where: short stacking energy: -35.730
Base-Backbone interact. energy: -0.064
local terms energy: -50.531013
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -137.477424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477424 (E_RNA)
where:
Base-Base interactions energy: -71.523
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.672
local terms energy: -65.282479
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -176.140116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.140116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.140116 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.691
local terms energy: -71.836514
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -126.475992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.475992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.475992 (E_RNA)
where:
Base-Base interactions energy: -58.127
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.068
local terms energy: -68.281609
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -139.134702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.134702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.134702 (E_RNA)
where:
Base-Base interactions energy: -60.478
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.011
local terms energy: -78.645388
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -113.457189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.457189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.457189 (E_RNA)
where:
Base-Base interactions energy: -45.006
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.032
local terms energy: -68.419311
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -105.123242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.123242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.123242 (E_RNA)
where:
Base-Base interactions energy: -51.721
where: short stacking energy: -38.064
Base-Backbone interact. energy: -1.033
local terms energy: -52.369328
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -108.200980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.200980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.200980 (E_RNA)
where:
Base-Base interactions energy: -43.387
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.390
local terms energy: -64.423897
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -89.859414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859414 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.294
local terms energy: -47.682276
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -85.341862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341862 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -20.942
Base-Backbone interact. energy: 0.300
local terms energy: -54.506787
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -82.876347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876347 (E_RNA)
where:
Base-Base interactions energy: -34.450
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.169
local terms energy: -48.257244
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -195.757809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.757809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.757809 (E_RNA)
where:
Base-Base interactions energy: -123.354
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.006
local terms energy: -72.398242
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -141.848647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.848647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.848647 (E_RNA)
where:
Base-Base interactions energy: -66.970
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.022
local terms energy: -74.856234
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -158.989825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.989825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.989825 (E_RNA)
where:
Base-Base interactions energy: -96.115
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.346
local terms energy: -62.528811
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -139.258261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.258261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.258261 (E_RNA)
where:
Base-Base interactions energy: -62.842
where: short stacking energy: -62.842
Base-Backbone interact. energy: 0.335
local terms energy: -76.750623
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -119.325838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.325838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.325838 (E_RNA)
where:
Base-Base interactions energy: -55.114
where: short stacking energy: -42.902
Base-Backbone interact. energy: -0.008
local terms energy: -64.203327
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -119.571104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.571104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.571104 (E_RNA)
where:
Base-Base interactions energy: -51.838
where: short stacking energy: -49.331
Base-Backbone interact. energy: -0.018
local terms energy: -67.715136
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -96.632230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.632230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.632230 (E_RNA)
where:
Base-Base interactions energy: -46.275
where: short stacking energy: -33.595
Base-Backbone interact. energy: -0.243
local terms energy: -50.113436
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -86.233168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233168 (E_RNA)
where:
Base-Base interactions energy: -32.458
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.094
local terms energy: -53.681217
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -90.090463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.090463 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.696
Base-Backbone interact. energy: -0.062
local terms energy: -53.285757
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -76.927462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.927462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.927462 (E_RNA)
where:
Base-Base interactions energy: -31.204
where: short stacking energy: -23.429
Base-Backbone interact. energy: -0.300
local terms energy: -45.423465
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -184.061511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.061511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.061511 (E_RNA)
where:
Base-Base interactions energy: -111.625
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.075
local terms energy: -72.361272
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -158.086655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.086655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.086655 (E_RNA)
where:
Base-Base interactions energy: -87.070
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.217
local terms energy: -70.799886
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -147.513007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.513007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.513007 (E_RNA)
where:
Base-Base interactions energy: -83.306
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.098
local terms energy: -64.108993
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -134.477388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.477388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.477388 (E_RNA)
where:
Base-Base interactions energy: -63.345
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.369
local terms energy: -70.763646
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -133.202449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.202449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.202449 (E_RNA)
where:
Base-Base interactions energy: -75.584
where: short stacking energy: -45.679
Base-Backbone interact. energy: -0.321
local terms energy: -57.297815
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -116.111062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.111062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.111062 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -36.959
Base-Backbone interact. energy: -0.888
local terms energy: -64.108506
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -90.038132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.038132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.038132 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.112
local terms energy: -55.390212
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -90.833665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.833665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.833665 (E_RNA)
where:
Base-Base interactions energy: -40.851
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.226
local terms energy: -49.756303
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -104.723054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.723054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.723054 (E_RNA)
where:
Base-Base interactions energy: -45.527
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.680
local terms energy: -58.516514
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -165.578546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.578546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.578546 (E_RNA)
where:
Base-Base interactions energy: -84.376
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.151
local terms energy: -81.051079
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -14.374
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -198.168957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.168957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.168957 (E_RNA)
where:
Base-Base interactions energy: -133.663
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.004
local terms energy: -64.502090
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -154.746767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.746767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.746767 (E_RNA)
where:
Base-Base interactions energy: -90.768
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.348
local terms energy: -63.630847
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -105.380876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.380876 (E_RNA)
where:
Base-Base interactions energy: -45.890
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.436
local terms energy: -59.055038
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -179.463826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.463826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.463826 (E_RNA)
where:
Base-Base interactions energy: -110.332
where: short stacking energy: -52.907
Base-Backbone interact. energy: -0.097
local terms energy: -69.035224
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -93.294129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.294129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.294129 (E_RNA)
where:
Base-Base interactions energy: -36.464
where: short stacking energy: -29.494
Base-Backbone interact. energy: -0.174
local terms energy: -56.656305
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -97.393281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.393281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.393281 (E_RNA)
where:
Base-Base interactions energy: -38.369
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.128
local terms energy: -58.896906
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -91.760714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.760714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.760714 (E_RNA)
where:
Base-Base interactions energy: -49.241
where: short stacking energy: -32.575
Base-Backbone interact. energy: 0.055
local terms energy: -42.574908
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -9.014
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -83.670180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670180 (E_RNA)
where:
Base-Base interactions energy: -29.392
where: short stacking energy: -28.780
Base-Backbone interact. energy: -0.206
local terms energy: -54.072369
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -81.441005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.441005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.441005 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -17.388
Base-Backbone interact. energy: -0.180
local terms energy: -53.190336
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -187.207148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.207148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.207148 (E_RNA)
where:
Base-Base interactions energy: -104.813
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.939
local terms energy: -81.454695
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -147.231214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.231214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.231214 (E_RNA)
where:
Base-Base interactions energy: -73.509
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.571
local terms energy: -73.151206
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -192.818699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.818699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.818699 (E_RNA)
where:
Base-Base interactions energy: -118.298
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.093
local terms energy: -74.427673
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -163.434352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.434352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.434352 (E_RNA)
where:
Base-Base interactions energy: -93.514
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.327
local terms energy: -69.593079
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -114.933215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.933215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.933215 (E_RNA)
where:
Base-Base interactions energy: -48.910
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.005
local terms energy: -66.018735
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -114.412964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.412964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.412964 (E_RNA)
where:
Base-Base interactions energy: -45.209
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.017
local terms energy: -69.187864
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -102.764103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.764103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.764103 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.173
local terms energy: -63.082104
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 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: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -94.290377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.290377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.290377 (E_RNA)
where:
Base-Base interactions energy: -33.404
where: short stacking energy: -33.404
Base-Backbone interact. energy: -0.012
local terms energy: -60.873838
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -10.819
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: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -77.681422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.681422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.681422 (E_RNA)
where:
Base-Base interactions energy: -31.861
where: short stacking energy: -31.419
Base-Backbone interact. energy: -0.128
local terms energy: -45.692088
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -7.530
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: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -188.807486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.807486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.807486 (E_RNA)
where:
Base-Base interactions energy: -101.791
where: short stacking energy: -71.697
Base-Backbone interact. energy: -0.569
local terms energy: -86.447583
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -162.814594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.814594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.814594 (E_RNA)
where:
Base-Base interactions energy: -88.809
where: short stacking energy: -40.758
Base-Backbone interact. energy: -2.320
local terms energy: -71.685524
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -8.598
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: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -208.049942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.049942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.049942 (E_RNA)
where:
Base-Base interactions energy: -127.210
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.003
local terms energy: -80.836216
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -140.441121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.441121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.441121 (E_RNA)
where:
Base-Base interactions energy: -80.643
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.740
local terms energy: -59.058079
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -127.814820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.814820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.814820 (E_RNA)
where:
Base-Base interactions energy: -61.006
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.967
local terms energy: -65.841616
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.853537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.853537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.853537 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.154
local terms energy: -62.645427
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -84.556425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.556425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.556425 (E_RNA)
where:
Base-Base interactions energy: -27.477
where: short stacking energy: -25.055
Base-Backbone interact. energy: -0.077
local terms energy: -57.002861
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -8.370
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -92.882896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.882896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.882896 (E_RNA)
where:
Base-Base interactions energy: -50.200
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.046
local terms energy: -42.636784
where:
bonds (distance) C4'-P energy: -4.234
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -81.056056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.056056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.056056 (E_RNA)
where:
Base-Base interactions energy: -27.002
where: short stacking energy: -21.359
Base-Backbone interact. energy: -0.337
local terms energy: -53.716749
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -1.077
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: 9
Temperature: 0.900000
Total energy: -190.735380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.735380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.735380 (E_RNA)
where:
Base-Base interactions energy: -111.799
where: short stacking energy: -67.159
Base-Backbone interact. energy: -1.421
local terms energy: -77.515735
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -215.515114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.515114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.515114 (E_RNA)
where:
Base-Base interactions energy: -138.559
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.019
local terms energy: -76.937157
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -162.083188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.083188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.083188 (E_RNA)
where:
Base-Base interactions energy: -102.488
where: short stacking energy: -45.439
Base-Backbone interact. energy: -0.002
local terms energy: -59.593245
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -168.990647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.990647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.990647 (E_RNA)
where:
Base-Base interactions energy: -96.416
where: short stacking energy: -56.021
Base-Backbone interact. energy: -0.022
local terms energy: -72.552558
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -144.610383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.610383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.610383 (E_RNA)
where:
Base-Base interactions energy: -81.129
where: short stacking energy: -37.439
Base-Backbone interact. energy: -0.272
local terms energy: -63.209212
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -10.411
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: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -108.030230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.030230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.030230 (E_RNA)
where:
Base-Base interactions energy: -46.073
where: short stacking energy: -34.731
Base-Backbone interact. energy: -0.130
local terms energy: -61.827134
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -87.966130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966130 (E_RNA)
where:
Base-Base interactions energy: -36.976
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.495
local terms energy: -50.495845
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: 2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -86.756725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.756725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.756725 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.624
local terms energy: -46.344142
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -84.251464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.251464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.251464 (E_RNA)
where:
Base-Base interactions energy: -33.379
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.094
local terms energy: -50.778934
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -6.592
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: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -185.691761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.691761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.691761 (E_RNA)
where:
Base-Base interactions energy: -102.978
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.375
local terms energy: -82.338496
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -213.435564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.435564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.435564 (E_RNA)
where:
Base-Base interactions energy: -135.389
where: short stacking energy: -70.580
Base-Backbone interact. energy: -0.354
local terms energy: -77.692896
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -134.728539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.728539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.728539 (E_RNA)
where:
Base-Base interactions energy: -71.520
where: short stacking energy: -39.285
Base-Backbone interact. energy: -0.599
local terms energy: -62.609534
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -9.209
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: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -115.537418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.537418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.537418 (E_RNA)
where:
Base-Base interactions energy: -47.265
where: short stacking energy: -46.343
Base-Backbone interact. energy: -0.233
local terms energy: -68.039323
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -8.476
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: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -114.580558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.580558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.580558 (E_RNA)
where:
Base-Base interactions energy: -44.753
where: short stacking energy: -44.753
Base-Backbone interact. energy: -0.814
local terms energy: -69.014225
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -7.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -117.711974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.711974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.711974 (E_RNA)
where:
Base-Base interactions energy: -57.607
where: short stacking energy: -45.473
Base-Backbone interact. energy: -0.171
local terms energy: -59.933562
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -8.278
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: 10
Temperature: 1.200000
Total energy: -96.007066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.007066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.007066 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -32.567
Base-Backbone interact. energy: -0.241
local terms energy: -54.774516
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -105.668010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.668010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.668010 (E_RNA)
where:
Base-Base interactions energy: -54.612
where: short stacking energy: -35.751
Base-Backbone interact. energy: -0.215
local terms energy: -50.841035
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -5.804
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -81.662328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.662328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.662328 (E_RNA)
where:
Base-Base interactions energy: -26.737
where: short stacking energy: -15.094
Base-Backbone interact. energy: -0.460
local terms energy: -54.465664
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: 0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -194.228207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.228207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.228207 (E_RNA)
where:
Base-Base interactions energy: -112.806
where: short stacking energy: -73.155
Base-Backbone interact. energy: 0.264
local terms energy: -81.685927
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -222.274403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.274403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.274403 (E_RNA)
where:
Base-Base interactions energy: -148.930
where: short stacking energy: -66.997
Base-Backbone interact. energy: 0.459
local terms energy: -73.802966
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -18.063
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: 11
Temperature: 1.000000
Total energy: -158.584893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.584893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.584893 (E_RNA)
where:
Base-Base interactions energy: -93.424
where: short stacking energy: -57.109
Base-Backbone interact. energy: -0.347
local terms energy: -64.814371
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -116.145941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.145941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.145941 (E_RNA)
where:
Base-Base interactions energy: -49.686
where: short stacking energy: -48.434
Base-Backbone interact. energy: 0.167
local terms energy: -66.627260
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -117.051258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.051258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.051258 (E_RNA)
where:
Base-Base interactions energy: -63.098
where: short stacking energy: -33.481
Base-Backbone interact. energy: 0.339
local terms energy: -54.291830
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -1.868
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: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -112.323902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.323902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.323902 (E_RNA)
where:
Base-Base interactions energy: -42.097
where: short stacking energy: -39.765
Base-Backbone interact. energy: -0.275
local terms energy: -69.952395
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -106.556567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.556567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.556567 (E_RNA)
where:
Base-Base interactions energy: -48.949
where: short stacking energy: -30.759
Base-Backbone interact. energy: -0.307
local terms energy: -57.301140
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -10.740
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -105.726977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726977 (E_RNA)
where:
Base-Base interactions energy: -45.637
where: short stacking energy: -45.593
Base-Backbone interact. energy: 0.302
local terms energy: -60.391594
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -92.885550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.885550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.885550 (E_RNA)
where:
Base-Base interactions energy: -53.655
where: short stacking energy: -19.082
Base-Backbone interact. energy: 5.542
local terms energy: -44.772317
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: 2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -84.617606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.617606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.617606 (E_RNA)
where:
Base-Base interactions energy: -29.780
where: short stacking energy: -29.780
Base-Backbone interact. energy: -0.110
local terms energy: -54.727103
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -7.622
flat angles P-C4'-P energy: -11.426
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: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -214.431360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.431360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.431360 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.447
local terms energy: -84.405466
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -189.021664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.021664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.021664 (E_RNA)
where:
Base-Base interactions energy: -114.022
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.307
local terms energy: -74.692296
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -120.168637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.168637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.168637 (E_RNA)
where:
Base-Base interactions energy: -47.019
where: short stacking energy: -47.019
Base-Backbone interact. energy: -0.059
local terms energy: -73.090697
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -126.771227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.771227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.771227 (E_RNA)
where:
Base-Base interactions energy: -61.647
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.195
local terms energy: -64.929645
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -136.872084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.872084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.872084 (E_RNA)
where:
Base-Base interactions energy: -66.838
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.137
local terms energy: -69.897207
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -107.436986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.436986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.436986 (E_RNA)
where:
Base-Base interactions energy: -49.844
where: short stacking energy: -43.484
Base-Backbone interact. energy: -1.386
local terms energy: -56.206719
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -9.046
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: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -115.542620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.542620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.542620 (E_RNA)
where:
Base-Base interactions energy: -54.219
where: short stacking energy: -46.063
Base-Backbone interact. energy: -0.086
local terms energy: -61.238033
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -81.525166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525166 (E_RNA)
where:
Base-Base interactions energy: -19.715
where: short stacking energy: -18.524
Base-Backbone interact. energy: -0.503
local terms energy: -61.307209
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: 3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -85.358207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.358207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.358207 (E_RNA)
where:
Base-Base interactions energy: -38.675
where: short stacking energy: -38.320
Base-Backbone interact. energy: 0.860
local terms energy: -47.543451
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -82.831827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.831827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.831827 (E_RNA)
where:
Base-Base interactions energy: -23.315
where: short stacking energy: -23.315
Base-Backbone interact. energy: -0.163
local terms energy: -59.353432
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -219.210498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.210498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.210498 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.003
local terms energy: -89.937578
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -20.394
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: 13
Temperature: 0.950000
Total energy: -179.538417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.538417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.538417 (E_RNA)
where:
Base-Base interactions energy: -102.073
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.330
local terms energy: -77.135992
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -132.755699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.755699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.755699 (E_RNA)
where:
Base-Base interactions energy: -63.750
where: short stacking energy: -49.520
Base-Backbone interact. energy: -0.783
local terms energy: -68.222627
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -12.993
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: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -140.956346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.956346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.956346 (E_RNA)
where:
Base-Base interactions energy: -76.144
where: short stacking energy: -55.685
Base-Backbone interact. energy: -0.031
local terms energy: -64.781130
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -142.254646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.254646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.254646 (E_RNA)
where:
Base-Base interactions energy: -78.539
where: short stacking energy: -47.159
Base-Backbone interact. energy: -0.130
local terms energy: -63.586275
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -96.607952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.607952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.607952 (E_RNA)
where:
Base-Base interactions energy: -39.472
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.530
local terms energy: -56.606184
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -7.792
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: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -119.974074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.974074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.974074 (E_RNA)
where:
Base-Base interactions energy: -59.007
where: short stacking energy: -45.756
Base-Backbone interact. energy: -0.944
local terms energy: -60.022807
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -11.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -136.135114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.135114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.135114 (E_RNA)
where:
Base-Base interactions energy: -75.809
where: short stacking energy: -43.115
Base-Backbone interact. energy: -0.234
local terms energy: -60.092459
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -90.514295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.514295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.514295 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -32.962
Base-Backbone interact. energy: -0.190
local terms energy: -52.928833
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -3.446
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -89.203045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.203045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.203045 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -21.745
Base-Backbone interact. energy: -1.472
local terms energy: -52.025715
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -227.694549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.694549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.694549 (E_RNA)
where:
Base-Base interactions energy: -142.960
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.421
local terms energy: -84.313595
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -181.952202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.952202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.952202 (E_RNA)
where:
Base-Base interactions energy: -118.397
where: short stacking energy: -62.692
Base-Backbone interact. energy: -0.385
local terms energy: -63.170137
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -157.447551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.447551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.447551 (E_RNA)
where:
Base-Base interactions energy: -77.992
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.047
local terms energy: -79.408407
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -11.373
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: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -124.084654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.084654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.084654 (E_RNA)
where:
Base-Base interactions energy: -47.891
where: short stacking energy: -43.160
Base-Backbone interact. energy: -0.041
local terms energy: -76.152747
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -11.146
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: 14
Temperature: 1.100000
Total energy: -124.624861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.624861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.624861 (E_RNA)
where:
Base-Base interactions energy: -52.826
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.084
local terms energy: -71.713953
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -116.178285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.178285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.178285 (E_RNA)
where:
Base-Base interactions energy: -57.585
where: short stacking energy: -46.239
Base-Backbone interact. energy: -0.522
local terms energy: -58.071485
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -160.068602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.068602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.068602 (E_RNA)
where:
Base-Base interactions energy: -97.736
where: short stacking energy: -44.934
Base-Backbone interact. energy: -0.012
local terms energy: -62.320421
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -11.072
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -103.152625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.152625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.152625 (E_RNA)
where:
Base-Base interactions energy: -56.187
where: short stacking energy: -29.058
Base-Backbone interact. energy: 2.098
local terms energy: -49.063783
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -87.387372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.387372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.387372 (E_RNA)
where:
Base-Base interactions energy: -34.513
where: short stacking energy: -29.148
Base-Backbone interact. energy: 0.814
local terms energy: -53.688679
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -84.056317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.056317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.056317 (E_RNA)
where:
Base-Base interactions energy: -27.039
where: short stacking energy: -27.039
Base-Backbone interact. energy: -0.195
local terms energy: -56.821992
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -212.120926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.120926 (E_RNA)
where:
Base-Base interactions energy: -128.749
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.017
local terms energy: -83.355218
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -181.710826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.710826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.710826 (E_RNA)
where:
Base-Base interactions energy: -110.613
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.262
local terms energy: -70.836126
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -129.085313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.085313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.085313 (E_RNA)
where:
Base-Base interactions energy: -59.665
where: short stacking energy: -55.940
Base-Backbone interact. energy: -0.238
local terms energy: -69.182991
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -122.711930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.711930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.711930 (E_RNA)
where:
Base-Base interactions energy: -52.911
where: short stacking energy: -49.555
Base-Backbone interact. energy: -0.174
local terms energy: -69.627142
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -103.781660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.781660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.781660 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -37.091
Base-Backbone interact. energy: 0.095
local terms energy: -66.785285
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -182.671582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.671582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.671582 (E_RNA)
where:
Base-Base interactions energy: -116.251
where: short stacking energy: -55.473
Base-Backbone interact. energy: 0.619
local terms energy: -67.038947
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -11.130
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: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -92.941780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.941780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.941780 (E_RNA)
where:
Base-Base interactions energy: -37.686
where: short stacking energy: -35.446
Base-Backbone interact. energy: -0.241
local terms energy: -55.014686
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -6.822
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -6.200
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -91.400793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.400793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.400793 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -25.044
Base-Backbone interact. energy: -1.786
local terms energy: -55.869429
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -106.966545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.966545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.966545 (E_RNA)
where:
Base-Base interactions energy: -44.558
where: short stacking energy: -33.268
Base-Backbone interact. energy: -0.433
local terms energy: -61.975628
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -79.128433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.128433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.128433 (E_RNA)
where:
Base-Base interactions energy: -25.550
where: short stacking energy: -25.550
Base-Backbone interact. energy: -0.308
local terms energy: -53.270630
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -208.922320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.922320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.922320 (E_RNA)
where:
Base-Base interactions energy: -134.306
where: short stacking energy: -64.249
Base-Backbone interact. energy: -0.392
local terms energy: -74.223714
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -18.351
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -177.909676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.909676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.909676 (E_RNA)
where:
Base-Base interactions energy: -105.665
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.598
local terms energy: -71.646860
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -134.812624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.812624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.812624 (E_RNA)
where:
Base-Base interactions energy: -61.056
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.010
local terms energy: -73.745785
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -124.214763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.214763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.214763 (E_RNA)
where:
Base-Base interactions energy: -53.970
where: short stacking energy: -51.143
Base-Backbone interact. energy: -0.039
local terms energy: -70.205371
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -206.808859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.808859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.808859 (E_RNA)
where:
Base-Base interactions energy: -130.339
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.028
local terms energy: -76.441264
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -105.081657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.081657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.081657 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.143
local terms energy: -65.428738
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -103.682285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.682285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.682285 (E_RNA)
where:
Base-Base interactions energy: -48.636
where: short stacking energy: -33.428
Base-Backbone interact. energy: 0.804
local terms energy: -55.850550
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -91.532576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.532576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.532576 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -28.701
Base-Backbone interact. energy: -0.154
local terms energy: -62.677529
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -0.668
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: 16
Temperature: 1.300000
Total energy: -76.399467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.399467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.399467 (E_RNA)
where:
Base-Base interactions energy: -20.643
where: short stacking energy: -20.643
Base-Backbone interact. energy: 1.047
local terms energy: -56.803004
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -80.123846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.123846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.123846 (E_RNA)
where:
Base-Base interactions energy: -25.125
where: short stacking energy: -24.517
Base-Backbone interact. energy: -0.429
local terms energy: -54.569691
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -220.147380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.147380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.147380 (E_RNA)
where:
Base-Base interactions energy: -142.477
where: short stacking energy: -55.192
Base-Backbone interact. energy: -0.775
local terms energy: -76.895344
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -10.750
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: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -183.171461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.171461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.171461 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -64.863
Base-Backbone interact. energy: 0.213
local terms energy: -76.151555
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -16.064
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: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -126.005908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.005908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.005908 (E_RNA)
where:
Base-Base interactions energy: -51.821
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.005
local terms energy: -74.179152
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -13.248
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: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -191.791199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.791199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.791199 (E_RNA)
where:
Base-Base interactions energy: -116.486
where: short stacking energy: -48.839
Base-Backbone interact. energy: 0.665
local terms energy: -75.969904
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -13.253
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: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -115.867579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.867579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.867579 (E_RNA)
where:
Base-Base interactions energy: -47.299
where: short stacking energy: -47.299
Base-Backbone interact. energy: -0.209
local terms energy: -68.359676
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -115.153516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.153516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.153516 (E_RNA)
where:
Base-Base interactions energy: -46.180
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.130
local terms energy: -68.843795
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -103.417999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.417999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.417999 (E_RNA)
where:
Base-Base interactions energy: -51.514
where: short stacking energy: -48.391
Base-Backbone interact. energy: -0.100
local terms energy: -51.803714
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -4.643
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: 8, replica: 1
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -106.919929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.919929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.919929 (E_RNA)
where:
Base-Base interactions energy: -54.183
where: short stacking energy: -37.394
Base-Backbone interact. energy: 1.237
local terms energy: -53.974165
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.184
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -90.386407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386407 (E_RNA)
where:
Base-Base interactions energy: -37.948
where: short stacking energy: -24.575
Base-Backbone interact. energy: -0.095
local terms energy: -52.343540
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -77.218452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.218452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.218452 (E_RNA)
where:
Base-Base interactions energy: -27.890
where: short stacking energy: -27.890
Base-Backbone interact. energy: -0.398
local terms energy: -48.930348
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -1.756
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -212.054528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.054528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.054528 (E_RNA)
where:
Base-Base interactions energy: -139.319
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.070
local terms energy: -72.664933
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -171.135156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.135156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.135156 (E_RNA)
where:
Base-Base interactions energy: -98.983
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.383
local terms energy: -71.768720
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -198.213639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.213639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.213639 (E_RNA)
where:
Base-Base interactions energy: -125.173
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.457
local terms energy: -72.584213
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -116.084501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.084501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.084501 (E_RNA)
where:
Base-Base interactions energy: -46.964
where: short stacking energy: -40.471
Base-Backbone interact. energy: -0.110
local terms energy: -69.010534
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -119.793324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.793324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.793324 (E_RNA)
where:
Base-Base interactions energy: -62.251
where: short stacking energy: -40.382
Base-Backbone interact. energy: -0.155
local terms energy: -57.387323
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -111.258823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.258823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.258823 (E_RNA)
where:
Base-Base interactions energy: -50.146
where: short stacking energy: -40.930
Base-Backbone interact. energy: -0.407
local terms energy: -60.705115
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -101.434572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.434572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.434572 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -36.057
Base-Backbone interact. energy: -0.002
local terms energy: -65.375699
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -101.410449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.410449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.410449 (E_RNA)
where:
Base-Base interactions energy: -41.893
where: short stacking energy: -39.364
Base-Backbone interact. energy: -0.154
local terms energy: -59.363938
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -83.314377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.314377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.314377 (E_RNA)
where:
Base-Base interactions energy: -31.020
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.105
local terms energy: -52.189421
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -10.225
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: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.552556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.552556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.552556 (E_RNA)
where:
Base-Base interactions energy: -22.824
where: short stacking energy: -22.824
Base-Backbone interact. energy: -0.139
local terms energy: -53.589356
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: 2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -219.929470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.929470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.929470 (E_RNA)
where:
Base-Base interactions energy: -141.753
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.247
local terms energy: -77.930005
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -12.498
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: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -215.711824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.711824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.711824 (E_RNA)
where:
Base-Base interactions energy: -143.733
where: short stacking energy: -75.954
Base-Backbone interact. energy: -0.124
local terms energy: -71.854605
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -164.177744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.177744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.177744 (E_RNA)
where:
Base-Base interactions energy: -92.047
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.624
local terms energy: -71.506704
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -176.460195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.460195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.460195 (E_RNA)
where:
Base-Base interactions energy: -106.847
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.422
local terms energy: -69.191019
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -10.145
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: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -118.103094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.103094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.103094 (E_RNA)
where:
Base-Base interactions energy: -50.046
where: short stacking energy: -33.006
Base-Backbone interact. energy: -0.144
local terms energy: -67.912731
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -103.732062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.732062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.732062 (E_RNA)
where:
Base-Base interactions energy: -41.045
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.049
local terms energy: -62.637940
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -108.250570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.250570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.250570 (E_RNA)
where:
Base-Base interactions energy: -43.100
where: short stacking energy: -34.751
Base-Backbone interact. energy: -0.066
local terms energy: -65.085510
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -95.566987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.566987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.566987 (E_RNA)
where:
Base-Base interactions energy: -54.730
where: short stacking energy: -34.039
Base-Backbone interact. energy: 0.433
local terms energy: -41.269960
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -2.841
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: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -93.716376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716376 (E_RNA)
where:
Base-Base interactions energy: -35.558
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.008
local terms energy: -58.150508
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -8.706
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: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -86.198320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198320 (E_RNA)
where:
Base-Base interactions energy: -25.132
where: short stacking energy: -24.131
Base-Backbone interact. energy: -0.019
local terms energy: -61.047144
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -4.472
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: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -218.843042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.843042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.843042 (E_RNA)
where:
Base-Base interactions energy: -136.481
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.072
local terms energy: -82.290408
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -220.704505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.704505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.704505 (E_RNA)
where:
Base-Base interactions energy: -141.618
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.055
local terms energy: -79.031599
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -193.554763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.554763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.554763 (E_RNA)
where:
Base-Base interactions energy: -116.828
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.050
local terms energy: -76.676129
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -149.793834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.793834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.793834 (E_RNA)
where:
Base-Base interactions energy: -88.602
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.363
local terms energy: -60.828859
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -104.391699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.391699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.391699 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -42.604
Base-Backbone interact. energy: -0.011
local terms energy: -61.776522
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -116.722700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.722700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.722700 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -39.966
Base-Backbone interact. energy: -1.714
local terms energy: -64.931385
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -99.121814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.121814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.121814 (E_RNA)
where:
Base-Base interactions energy: -41.802
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.292
local terms energy: -57.027788
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -96.041487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.041487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.041487 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -25.592
Base-Backbone interact. energy: 0.301
local terms energy: -61.086461
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -87.991949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.991949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.991949 (E_RNA)
where:
Base-Base interactions energy: -32.807
where: short stacking energy: -25.041
Base-Backbone interact. energy: -0.103
local terms energy: -55.081930
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -85.252902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.252902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.252902 (E_RNA)
where:
Base-Base interactions energy: -37.497
where: short stacking energy: -33.698
Base-Backbone interact. energy: -0.160
local terms energy: -47.595256
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -224.152091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.152091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.152091 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -75.999
Base-Backbone interact. energy: -0.021
local terms energy: -77.426014
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -211.471285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.471285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.471285 (E_RNA)
where:
Base-Base interactions energy: -142.913
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.143
local terms energy: -68.415750
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -9.599
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: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -194.441662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.441662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.441662 (E_RNA)
where:
Base-Base interactions energy: -132.426
where: short stacking energy: -57.446
Base-Backbone interact. energy: 0.029
local terms energy: -62.044516
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -124.256818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.256818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.256818 (E_RNA)
where:
Base-Base interactions energy: -61.790
where: short stacking energy: -36.288
Base-Backbone interact. energy: -0.076
local terms energy: -62.390511
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -115.261754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.261754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.261754 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -44.267
Base-Backbone interact. energy: -0.070
local terms energy: -70.204354
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -10.326
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: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -112.562778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.562778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.562778 (E_RNA)
where:
Base-Base interactions energy: -48.489
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.126
local terms energy: -63.948405
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -101.158064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.158064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.158064 (E_RNA)
where:
Base-Base interactions energy: -54.432
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.059
local terms energy: -46.667563
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: 4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -122.494494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.494494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.494494 (E_RNA)
where:
Base-Base interactions energy: -70.621
where: short stacking energy: -38.095
Base-Backbone interact. energy: 0.267
local terms energy: -52.140337
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: 2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -92.242527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.242527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.242527 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -30.264
Base-Backbone interact. energy: -0.223
local terms energy: -59.343871
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -77.523461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.523461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.523461 (E_RNA)
where:
Base-Base interactions energy: -25.621
where: short stacking energy: -22.167
Base-Backbone interact. energy: 0.002
local terms energy: -51.904681
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -12.604
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: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -208.552395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.552395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.552395 (E_RNA)
where:
Base-Base interactions energy: -129.878
where: short stacking energy: -70.015
Base-Backbone interact. energy: -0.730
local terms energy: -77.943814
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -212.012695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.012695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.012695 (E_RNA)
where:
Base-Base interactions energy: -138.405
where: short stacking energy: -68.345
Base-Backbone interact. energy: -0.400
local terms energy: -73.208041
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -206.626449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.626449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.626449 (E_RNA)
where:
Base-Base interactions energy: -125.161
where: short stacking energy: -72.498
Base-Backbone interact. energy: -0.007
local terms energy: -81.458656
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -189.952836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.952836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.952836 (E_RNA)
where:
Base-Base interactions energy: -115.141
where: short stacking energy: -62.330
Base-Backbone interact. energy: 0.021
local terms energy: -74.832933
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -102.931391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.931391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.931391 (E_RNA)
where:
Base-Base interactions energy: -36.223
where: short stacking energy: -34.875
Base-Backbone interact. energy: 0.359
local terms energy: -67.068058
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -7.931
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: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -119.135867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.135867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.135867 (E_RNA)
where:
Base-Base interactions energy: -54.017
where: short stacking energy: -33.712
Base-Backbone interact. energy: -0.203
local terms energy: -64.916605
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -98.138644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.138644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.138644 (E_RNA)
where:
Base-Base interactions energy: -44.356
where: short stacking energy: -36.603
Base-Backbone interact. energy: -0.118
local terms energy: -53.663928
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -97.294744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.294744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.294744 (E_RNA)
where:
Base-Base interactions energy: -49.004
where: short stacking energy: -49.004
Base-Backbone interact. energy: -1.148
local terms energy: -47.143499
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: 0.740
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -81.946656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.946656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.946656 (E_RNA)
where:
Base-Base interactions energy: -31.429
where: short stacking energy: -20.663
Base-Backbone interact. energy: 1.473
local terms energy: -51.989849
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.012
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: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -72.713339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.713339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.713339 (E_RNA)
where:
Base-Base interactions energy: -31.575
where: short stacking energy: -25.312
Base-Backbone interact. energy: -0.265
local terms energy: -40.873422
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -6.142
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: 1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -225.029015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.029015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.029015 (E_RNA)
where:
Base-Base interactions energy: -143.903
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.015
local terms energy: -81.110658
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -215.659907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.659907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.659907 (E_RNA)
where:
Base-Base interactions energy: -139.216
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.695
local terms energy: -75.749127
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -199.825235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.825235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.825235 (E_RNA)
where:
Base-Base interactions energy: -125.831
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.069
local terms energy: -73.924982
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -197.314938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.314938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.314938 (E_RNA)
where:
Base-Base interactions energy: -134.755
where: short stacking energy: -52.557
Base-Backbone interact. energy: 0.419
local terms energy: -62.979728
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -117.184833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.184833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.184833 (E_RNA)
where:
Base-Base interactions energy: -49.921
where: short stacking energy: -41.893
Base-Backbone interact. energy: -0.091
local terms energy: -67.173107
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -114.521921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.521921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.521921 (E_RNA)
where:
Base-Base interactions energy: -47.660
where: short stacking energy: -44.991
Base-Backbone interact. energy: -0.131
local terms energy: -66.731022
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -103.298203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.298203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.298203 (E_RNA)
where:
Base-Base interactions energy: -48.587
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.075
local terms energy: -54.636163
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -83.798141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.798141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.798141 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.194
local terms energy: -49.831228
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -107.778402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.778402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.778402 (E_RNA)
where:
Base-Base interactions energy: -55.838
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.208
local terms energy: -51.732491
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -77.111146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.111146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.111146 (E_RNA)
where:
Base-Base interactions energy: -27.381
where: short stacking energy: -23.393
Base-Backbone interact. energy: -0.372
local terms energy: -49.357191
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: 2.795
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: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -232.968624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.968624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.968624 (E_RNA)
where:
Base-Base interactions energy: -153.403
where: short stacking energy: -70.650
Base-Backbone interact. energy: -0.014
local terms energy: -79.552325
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -13.373
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: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -190.673430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.673430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.673430 (E_RNA)
where:
Base-Base interactions energy: -111.122
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.001
local terms energy: -79.550658
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -10.327
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: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -202.548326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.548326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.548326 (E_RNA)
where:
Base-Base interactions energy: -122.843
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.386
local terms energy: -79.319278
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -206.703424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.703424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.703424 (E_RNA)
where:
Base-Base interactions energy: -127.446
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.052
local terms energy: -79.206055
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -118.064231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.064231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.064231 (E_RNA)
where:
Base-Base interactions energy: -50.839
where: short stacking energy: -43.969
Base-Backbone interact. energy: -0.412
local terms energy: -66.812547
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -100.144317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.144317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.144317 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -38.244
Base-Backbone interact. energy: -0.980
local terms energy: -54.713346
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -106.281361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.281361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.281361 (E_RNA)
where:
Base-Base interactions energy: -44.742
where: short stacking energy: -44.742
Base-Backbone interact. energy: -0.155
local terms energy: -61.385280
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -96.921326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.921326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.921326 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.287
local terms energy: -60.988017
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -86.259598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.259598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.259598 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -31.293
Base-Backbone interact. energy: -0.110
local terms energy: -53.086894
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -88.830993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.830993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.830993 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -26.620
Base-Backbone interact. energy: -0.748
local terms energy: -44.581536
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -230.387713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.387713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.387713 (E_RNA)
where:
Base-Base interactions energy: -152.032
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.161
local terms energy: -78.194191
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -10.908
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: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -200.756990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.756990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.756990 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -66.094
Base-Backbone interact. energy: -0.001
local terms energy: -76.214776
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -12.788
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: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -203.454193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.454193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.454193 (E_RNA)
where:
Base-Base interactions energy: -132.230
where: short stacking energy: -63.907
Base-Backbone interact. energy: -0.686
local terms energy: -70.537873
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -17.107
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -200.038830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.038830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.038830 (E_RNA)
where:
Base-Base interactions energy: -124.831
where: short stacking energy: -67.235
Base-Backbone interact. energy: -0.218
local terms energy: -74.990217
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -115.978844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.978844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.978844 (E_RNA)
where:
Base-Base interactions energy: -54.869
where: short stacking energy: -41.408
Base-Backbone interact. energy: -0.137
local terms energy: -60.972493
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -8.551
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: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -104.597536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.597536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.597536 (E_RNA)
where:
Base-Base interactions energy: -46.836
where: short stacking energy: -38.294
Base-Backbone interact. energy: -0.100
local terms energy: -57.661609
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -95.529260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.529260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.529260 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -33.907
Base-Backbone interact. energy: -0.179
local terms energy: -58.128204
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -103.658633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.658633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.658633 (E_RNA)
where:
Base-Base interactions energy: -44.113
where: short stacking energy: -43.308
Base-Backbone interact. energy: -0.039
local terms energy: -59.505922
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -81.332371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.332371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.332371 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -23.490
Base-Backbone interact. energy: -1.354
local terms energy: -54.047740
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -90.085792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.085792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.085792 (E_RNA)
where:
Base-Base interactions energy: -30.298
where: short stacking energy: -22.167
Base-Backbone interact. energy: 2.342
local terms energy: -62.130521
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -15.417
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: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -221.816849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.816849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.816849 (E_RNA)
where:
Base-Base interactions energy: -149.437
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.015
local terms energy: -72.365042
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -8.591
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: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -202.562156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562156 (E_RNA)
where:
Base-Base interactions energy: -127.154
where: short stacking energy: -77.713
Base-Backbone interact. energy: -0.057
local terms energy: -75.350671
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -219.371861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.371861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.371861 (E_RNA)
where:
Base-Base interactions energy: -143.026
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.244
local terms energy: -76.101473
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -213.233744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.233744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.233744 (E_RNA)
where:
Base-Base interactions energy: -141.628
where: short stacking energy: -63.973
Base-Backbone interact. energy: -0.026
local terms energy: -71.579334
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -13.228
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: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -124.074835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.074835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.074835 (E_RNA)
where:
Base-Base interactions energy: -60.992
where: short stacking energy: -45.463
Base-Backbone interact. energy: -0.134
local terms energy: -62.949638
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -7.435
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: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -103.902504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.902504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.902504 (E_RNA)
where:
Base-Base interactions energy: -39.756
where: short stacking energy: -38.291
Base-Backbone interact. energy: -0.407
local terms energy: -63.739751
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -112.732118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.732118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.732118 (E_RNA)
where:
Base-Base interactions energy: -54.960
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.255
local terms energy: -57.516993
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -90.286994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.286994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.286994 (E_RNA)
where:
Base-Base interactions energy: -44.647
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.093
local terms energy: -45.547462
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -9.038
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -5.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -90.672967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.672967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.672967 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -32.756
Base-Backbone interact. energy: -0.517
local terms energy: -51.359350
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -8.082
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -74.787830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.787830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.787830 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -21.013
Base-Backbone interact. energy: -0.660
local terms energy: -42.209200
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -7.248
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: 3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -242.158523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.158523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.158523 (E_RNA)
where:
Base-Base interactions energy: -167.078
where: short stacking energy: -75.486
Base-Backbone interact. energy: -0.176
local terms energy: -74.904980
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -216.098497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.098497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.098497 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -55.920
Base-Backbone interact. energy: 0.223
local terms energy: -78.726494
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -10.692
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: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -211.468269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468269 (E_RNA)
where:
Base-Base interactions energy: -133.216
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.019
local terms energy: -78.233444
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -203.264129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.264129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.264129 (E_RNA)
where:
Base-Base interactions energy: -134.629
where: short stacking energy: -54.843
Base-Backbone interact. energy: -0.019
local terms energy: -68.615870
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -104.680041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.680041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.680041 (E_RNA)
where:
Base-Base interactions energy: -41.539
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.927
local terms energy: -62.214415
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -100.445250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.445250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.445250 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -35.759
Base-Backbone interact. energy: -0.011
local terms energy: -64.674500
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -102.560649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.560649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.560649 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.218
local terms energy: -60.699665
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -9.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -89.713134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.713134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.713134 (E_RNA)
where:
Base-Base interactions energy: -26.264
where: short stacking energy: -26.264
Base-Backbone interact. energy: -0.142
local terms energy: -63.307501
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -85.566001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566001 (E_RNA)
where:
Base-Base interactions energy: -27.531
where: short stacking energy: -26.035
Base-Backbone interact. energy: 1.580
local terms energy: -59.614271
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.645
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: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -90.423393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.423393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.423393 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -19.651
Base-Backbone interact. energy: -0.710
local terms energy: -57.557124
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -231.182619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.182619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.182619 (E_RNA)
where:
Base-Base interactions energy: -157.060
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.081
local terms energy: -74.041680
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.911
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: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -215.341638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.341638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.341638 (E_RNA)
where:
Base-Base interactions energy: -147.073
where: short stacking energy: -67.445
Base-Backbone interact. energy: 0.422
local terms energy: -68.691116
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -198.909865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.909865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.909865 (E_RNA)
where:
Base-Base interactions energy: -120.004
where: short stacking energy: -65.723
Base-Backbone interact. energy: -0.001
local terms energy: -78.904518
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -193.457183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457183 (E_RNA)
where:
Base-Base interactions energy: -121.076
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.001
local terms energy: -72.380192
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -102.151681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.151681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.151681 (E_RNA)
where:
Base-Base interactions energy: -41.359
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.357
local terms energy: -60.436013
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -93.114754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.114754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.114754 (E_RNA)
where:
Base-Base interactions energy: -38.938
where: short stacking energy: -38.938
Base-Backbone interact. energy: -0.290
local terms energy: -53.886995
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -4.316
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -92.668806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.668806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.668806 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -34.115
Base-Backbone interact. energy: -0.049
local terms energy: -58.504865
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -100.776427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.776427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.776427 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.469
local terms energy: -67.895853
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -10.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -90.552080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.552080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.552080 (E_RNA)
where:
Base-Base interactions energy: -32.673
where: short stacking energy: -28.845
Base-Backbone interact. energy: -0.270
local terms energy: -57.609907
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -81.078445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.078445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.078445 (E_RNA)
where:
Base-Base interactions energy: -20.010
where: short stacking energy: -16.929
Base-Backbone interact. energy: -0.321
local terms energy: -60.747922
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.128
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: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -233.975589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.975589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.975589 (E_RNA)
where:
Base-Base interactions energy: -168.690
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.208
local terms energy: -65.078094
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -215.958939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.958939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.958939 (E_RNA)
where:
Base-Base interactions energy: -144.372
where: short stacking energy: -70.883
Base-Backbone interact. energy: -0.002
local terms energy: -71.585045
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -195.159845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.159845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.159845 (E_RNA)
where:
Base-Base interactions energy: -127.391
where: short stacking energy: -55.071
Base-Backbone interact. energy: -0.141
local terms energy: -67.627902
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -19.197
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: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -196.419979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.419979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.419979 (E_RNA)
where:
Base-Base interactions energy: -128.054
where: short stacking energy: -59.271
Base-Backbone interact. energy: -0.651
local terms energy: -67.714902
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -103.006350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.006350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.006350 (E_RNA)
where:
Base-Base interactions energy: -46.380
where: short stacking energy: -46.380
Base-Backbone interact. energy: -0.557
local terms energy: -56.069912
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -104.334334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.334334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.334334 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -33.804
Base-Backbone interact. energy: -0.320
local terms energy: -68.421366
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -102.295006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.295006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.295006 (E_RNA)
where:
Base-Base interactions energy: -44.007
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.235
local terms energy: -58.052778
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -94.953358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.953358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.953358 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -31.020
Base-Backbone interact. energy: 0.001
local terms energy: -62.546074
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -89.432463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.432463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.432463 (E_RNA)
where:
Base-Base interactions energy: -40.096
where: short stacking energy: -25.215
Base-Backbone interact. energy: -0.074
local terms energy: -49.262559
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -79.809941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.809941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.809941 (E_RNA)
where:
Base-Base interactions energy: -27.503
where: short stacking energy: -23.245
Base-Backbone interact. energy: -0.023
local terms energy: -52.284184
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -6.953
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: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -231.422848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.422848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.422848 (E_RNA)
where:
Base-Base interactions energy: -153.613
where: short stacking energy: -58.006
Base-Backbone interact. energy: -2.337
local terms energy: -75.472279
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -222.435544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.435544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.435544 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.067
local terms energy: -75.035395
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -208.601704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.601704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.601704 (E_RNA)
where:
Base-Base interactions energy: -137.312
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.067
local terms energy: -71.222781
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -204.626641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.626641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.626641 (E_RNA)
where:
Base-Base interactions energy: -133.709
where: short stacking energy: -65.087
Base-Backbone interact. energy: 0.040
local terms energy: -70.957694
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -120.632586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.632586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.632586 (E_RNA)
where:
Base-Base interactions energy: -57.444
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.322
local terms energy: -62.866526
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -107.904300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.904300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.904300 (E_RNA)
where:
Base-Base interactions energy: -49.868
where: short stacking energy: -33.947
Base-Backbone interact. energy: -0.357
local terms energy: -57.679946
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -4.417
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: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -105.789509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.789509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.789509 (E_RNA)
where:
Base-Base interactions energy: -44.727
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.055
local terms energy: -61.008083
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -90.646184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.646184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.646184 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -34.141
Base-Backbone interact. energy: 0.156
local terms energy: -53.550058
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -87.428439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.428439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.428439 (E_RNA)
where:
Base-Base interactions energy: -32.105
where: short stacking energy: -32.105
Base-Backbone interact. energy: -0.131
local terms energy: -55.191897
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -8.154
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -86.098098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.098098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.098098 (E_RNA)
where:
Base-Base interactions energy: -34.697
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.240
local terms energy: -51.161239
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -231.787562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.787562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.787562 (E_RNA)
where:
Base-Base interactions energy: -157.521
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.331
local terms energy: -73.935643
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -219.633731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.633731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.633731 (E_RNA)
where:
Base-Base interactions energy: -141.109
where: short stacking energy: -72.179
Base-Backbone interact. energy: -0.113
local terms energy: -78.412076
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -206.477109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.477109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.477109 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.076
local terms energy: -71.719970
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -190.084223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.084223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.084223 (E_RNA)
where:
Base-Base interactions energy: -123.601
where: short stacking energy: -60.236
Base-Backbone interact. energy: -0.383
local terms energy: -66.100735
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -116.460418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.460418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.460418 (E_RNA)
where:
Base-Base interactions energy: -55.188
where: short stacking energy: -36.430
Base-Backbone interact. energy: -0.210
local terms energy: -61.062382
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -109.746087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.746087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.746087 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -44.742
Base-Backbone interact. energy: -0.142
local terms energy: -62.532158
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -93.870743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.870743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.870743 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -36.855
Base-Backbone interact. energy: -0.018
local terms energy: -55.872132
where:
bonds (distance) C4'-P energy: -7.332
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -96.275908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.275908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.275908 (E_RNA)
where:
Base-Base interactions energy: -49.329
where: short stacking energy: -49.329
Base-Backbone interact. energy: -0.167
local terms energy: -46.779548
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -84.799403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.799403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.799403 (E_RNA)
where:
Base-Base interactions energy: -29.573
where: short stacking energy: -23.743
Base-Backbone interact. energy: -0.522
local terms energy: -54.704769
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -85.795144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.795144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.795144 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -30.026
Base-Backbone interact. energy: 0.366
local terms energy: -52.868632
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -240.374237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.374237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.374237 (E_RNA)
where:
Base-Base interactions energy: -172.719
where: short stacking energy: -57.298
Base-Backbone interact. energy: 1.367
local terms energy: -69.021785
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.321
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: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -210.826328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.826328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.826328 (E_RNA)
where:
Base-Base interactions energy: -141.329
where: short stacking energy: -58.808
Base-Backbone interact. energy: -0.049
local terms energy: -69.448484
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -219.995236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.995236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.995236 (E_RNA)
where:
Base-Base interactions energy: -137.008
where: short stacking energy: -70.527
Base-Backbone interact. energy: -0.106
local terms energy: -82.882099
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -191.750507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.750507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.750507 (E_RNA)
where:
Base-Base interactions energy: -121.135
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.007
local terms energy: -70.609186
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -128.003807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.003807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.003807 (E_RNA)
where:
Base-Base interactions energy: -57.665
where: short stacking energy: -56.999
Base-Backbone interact. energy: -0.399
local terms energy: -69.939444
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -10.527
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: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -102.052223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.052223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.052223 (E_RNA)
where:
Base-Base interactions energy: -36.386
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.071
local terms energy: -65.595719
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -97.853745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.853745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.853745 (E_RNA)
where:
Base-Base interactions energy: -48.559
where: short stacking energy: -48.062
Base-Backbone interact. energy: -0.082
local terms energy: -49.213384
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -117.284624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.284624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.284624 (E_RNA)
where:
Base-Base interactions energy: -49.494
where: short stacking energy: -49.494
Base-Backbone interact. energy: -0.008
local terms energy: -67.782943
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -89.879248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.879248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.879248 (E_RNA)
where:
Base-Base interactions energy: -37.882
where: short stacking energy: -37.882
Base-Backbone interact. energy: 0.006
local terms energy: -52.002673
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -82.356843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.356843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.356843 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.032
local terms energy: -46.524354
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -246.884988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.884988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.884988 (E_RNA)
where:
Base-Base interactions energy: -170.797
where: short stacking energy: -56.114
Base-Backbone interact. energy: 1.252
local terms energy: -77.339603
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.935
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: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -225.281976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.281976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.281976 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.904
local terms energy: -81.174506
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -222.231482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.231482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.231482 (E_RNA)
where:
Base-Base interactions energy: -144.702
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.291
local terms energy: -77.238496
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -197.232144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.232144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.232144 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -67.115
Base-Backbone interact. energy: -0.056
local terms energy: -68.080753
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -125.144095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.144095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.144095 (E_RNA)
where:
Base-Base interactions energy: -61.338
where: short stacking energy: -27.688
Base-Backbone interact. energy: -0.558
local terms energy: -63.248335
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.378
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: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -108.079838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.079838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.079838 (E_RNA)
where:
Base-Base interactions energy: -49.059
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.112
local terms energy: -58.908936
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -97.273977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.273977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.273977 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -28.994
Base-Backbone interact. energy: 0.095
local terms energy: -64.440226
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -98.927180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.927180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.927180 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -38.823
Base-Backbone interact. energy: 0.493
local terms energy: -60.597495
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -92.858757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.858757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.858757 (E_RNA)
where:
Base-Base interactions energy: -31.811
where: short stacking energy: -30.516
Base-Backbone interact. energy: -0.210
local terms energy: -60.837555
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -80.820895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.820895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.820895 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -22.018
Base-Backbone interact. energy: 1.017
local terms energy: -45.408249
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: 1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -236.822479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.822479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.822479 (E_RNA)
where:
Base-Base interactions energy: -162.807
where: short stacking energy: -59.034
Base-Backbone interact. energy: -1.328
local terms energy: -72.687774
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.908
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -225.587536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.587536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.587536 (E_RNA)
where:
Base-Base interactions energy: -154.174
where: short stacking energy: -63.889
Base-Backbone interact. energy: -0.252
local terms energy: -71.161393
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -217.425773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.425773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.425773 (E_RNA)
where:
Base-Base interactions energy: -138.675
where: short stacking energy: -71.366
Base-Backbone interact. energy: -0.002
local terms energy: -78.748578
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -199.706779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.706779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706779 (E_RNA)
where:
Base-Base interactions energy: -126.234
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.140
local terms energy: -73.332053
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -132.755414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.755414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.755414 (E_RNA)
where:
Base-Base interactions energy: -80.086
where: short stacking energy: -44.765
Base-Backbone interact. energy: -1.009
local terms energy: -51.660513
where:
bonds (distance) C4'-P energy: -8.474
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -86.156464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.156464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.156464 (E_RNA)
where:
Base-Base interactions energy: -30.872
where: short stacking energy: -29.582
Base-Backbone interact. energy: -0.153
local terms energy: -55.131382
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -96.527149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.527149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.527149 (E_RNA)
where:
Base-Base interactions energy: -37.516
where: short stacking energy: -37.516
Base-Backbone interact. energy: -0.076
local terms energy: -58.934723
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -7.866
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: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -101.036221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.036221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.036221 (E_RNA)
where:
Base-Base interactions energy: -39.371
where: short stacking energy: -38.111
Base-Backbone interact. energy: -0.110
local terms energy: -61.555652
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -83.433945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.433945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.433945 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.579
Base-Backbone interact. energy: 0.683
local terms energy: -51.279772
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -5.443
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: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -86.300988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.300988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.300988 (E_RNA)
where:
Base-Base interactions energy: -27.410
where: short stacking energy: -19.676
Base-Backbone interact. energy: -0.165
local terms energy: -58.726315
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -226.562628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.562628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.562628 (E_RNA)
where:
Base-Base interactions energy: -158.080
where: short stacking energy: -56.781
Base-Backbone interact. energy: 1.430
local terms energy: -69.912739
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -224.231118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.231118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.231118 (E_RNA)
where:
Base-Base interactions energy: -149.221
where: short stacking energy: -57.926
Base-Backbone interact. energy: -1.123
local terms energy: -73.887252
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -218.504073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.504073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.504073 (E_RNA)
where:
Base-Base interactions energy: -135.043
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.002
local terms energy: -83.459443
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -20.388
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: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -195.145147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.145147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.145147 (E_RNA)
where:
Base-Base interactions energy: -127.469
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.035
local terms energy: -67.641599
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -10.363
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: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -166.869095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.869095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.869095 (E_RNA)
where:
Base-Base interactions energy: -99.870
where: short stacking energy: -52.870
Base-Backbone interact. energy: -0.054
local terms energy: -66.945516
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -14.972
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: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -108.698862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.698862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.698862 (E_RNA)
where:
Base-Base interactions energy: -40.312
where: short stacking energy: -39.378
Base-Backbone interact. energy: -1.188
local terms energy: -67.198650
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -93.147404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.147404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.147404 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.050
local terms energy: -58.244052
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -8.032
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: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -97.983798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.983798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.983798 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -35.082
Base-Backbone interact. energy: -0.451
local terms energy: -60.990463
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -94.831792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.831792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.831792 (E_RNA)
where:
Base-Base interactions energy: -37.897
where: short stacking energy: -36.610
Base-Backbone interact. energy: -0.377
local terms energy: -56.558368
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -84.323887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.323887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.323887 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.285
local terms energy: -50.486413
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -223.346599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.346599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.346599 (E_RNA)
where:
Base-Base interactions energy: -149.813
where: short stacking energy: -65.345
Base-Backbone interact. energy: 0.426
local terms energy: -73.959515
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -224.865045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.865045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.865045 (E_RNA)
where:
Base-Base interactions energy: -149.414
where: short stacking energy: -71.307
Base-Backbone interact. energy: -0.319
local terms energy: -75.132203
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -18.852
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: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -210.873009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.873009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.873009 (E_RNA)
where:
Base-Base interactions energy: -142.080
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.118
local terms energy: -68.674747
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.839
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: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -202.139841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.139841 (E_RNA)
where:
Base-Base interactions energy: -123.205
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.058
local terms energy: -78.877590
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -114.691516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.691516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.691516 (E_RNA)
where:
Base-Base interactions energy: -51.893
where: short stacking energy: -39.357
Base-Backbone interact. energy: -0.111
local terms energy: -62.686687
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -162.634203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.634203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.634203 (E_RNA)
where:
Base-Base interactions energy: -94.839
where: short stacking energy: -53.944
Base-Backbone interact. energy: -0.491
local terms energy: -67.304651
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -90.077187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.077187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.077187 (E_RNA)
where:
Base-Base interactions energy: -34.215
where: short stacking energy: -34.615
Base-Backbone interact. energy: 0.703
local terms energy: -56.564983
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -96.348318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.348318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.348318 (E_RNA)
where:
Base-Base interactions energy: -41.395
where: short stacking energy: -32.022
Base-Backbone interact. energy: -0.240
local terms energy: -54.713303
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -6.564
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: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -88.290881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.290881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.290881 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -32.408
Base-Backbone interact. energy: 0.178
local terms energy: -55.423733
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -10.498
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: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -86.724078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724078 (E_RNA)
where:
Base-Base interactions energy: -29.434
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.395
local terms energy: -56.894731
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -12.222
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: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -220.967633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.967633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.967633 (E_RNA)
where:
Base-Base interactions energy: -146.266
where: short stacking energy: -72.424
Base-Backbone interact. energy: -0.038
local terms energy: -74.663925
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -211.155780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.155780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.155780 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -72.525
Base-Backbone interact. energy: 1.236
local terms energy: -83.933288
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -23.816
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: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -211.579738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.579738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.579738 (E_RNA)
where:
Base-Base interactions energy: -133.549
where: short stacking energy: -56.760
Base-Backbone interact. energy: 0.575
local terms energy: -78.605238
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -190.957188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.957188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.957188 (E_RNA)
where:
Base-Base interactions energy: -116.395
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.015
local terms energy: -74.547709
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -109.890539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.890539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.890539 (E_RNA)
where:
Base-Base interactions energy: -52.824
where: short stacking energy: -37.816
Base-Backbone interact. energy: -0.129
local terms energy: -56.937598
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -163.935498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.935498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.935498 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -54.076
Base-Backbone interact. energy: -0.022
local terms energy: -63.772420
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -13.968
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: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -96.571913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.571913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.571913 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -32.184
Base-Backbone interact. energy: -0.306
local terms energy: -61.378390
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -93.114591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.114591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.114591 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.130
local terms energy: -56.005138
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -106.131424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.131424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.131424 (E_RNA)
where:
Base-Base interactions energy: -51.032
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.888
local terms energy: -54.211783
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -77.566029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.566029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.566029 (E_RNA)
where:
Base-Base interactions energy: -25.823
where: short stacking energy: -24.505
Base-Backbone interact. energy: 0.049
local terms energy: -51.792752
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -11.386
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: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -224.994725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.994725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.994725 (E_RNA)
where:
Base-Base interactions energy: -147.328
where: short stacking energy: -68.348
Base-Backbone interact. energy: -0.493
local terms energy: -77.173473
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -207.832269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.832269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.832269 (E_RNA)
where:
Base-Base interactions energy: -134.710
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.248
local terms energy: -72.873896
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -8.107
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: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -210.279496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.279496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.279496 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.036
local terms energy: -76.835137
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -201.884687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.884687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.884687 (E_RNA)
where:
Base-Base interactions energy: -125.949
where: short stacking energy: -48.699
Base-Backbone interact. energy: -0.144
local terms energy: -75.791820
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -15.082
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: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -166.589571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.589571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.589571 (E_RNA)
where:
Base-Base interactions energy: -98.652
where: short stacking energy: -51.278
Base-Backbone interact. energy: 0.417
local terms energy: -68.355357
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -158.718888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.718888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.718888 (E_RNA)
where:
Base-Base interactions energy: -95.715
where: short stacking energy: -42.282
Base-Backbone interact. energy: -0.136
local terms energy: -62.868099
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -91.807239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.807239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.807239 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -30.333
Base-Backbone interact. energy: -0.220
local terms energy: -60.852854
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -5.567
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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -106.328173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.328173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.328173 (E_RNA)
where:
Base-Base interactions energy: -63.493
where: short stacking energy: -34.399
Base-Backbone interact. energy: 0.014
local terms energy: -42.849378
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -98.307448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.307448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.307448 (E_RNA)
where:
Base-Base interactions energy: -42.450
where: short stacking energy: -24.357
Base-Backbone interact. energy: -0.311
local terms energy: -55.546159
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -89.028436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.028436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.028436 (E_RNA)
where:
Base-Base interactions energy: -36.552
where: short stacking energy: -23.587
Base-Backbone interact. energy: -1.331
local terms energy: -51.145484
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -225.058943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.058943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.058943 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -70.994
Base-Backbone interact. energy: -0.259
local terms energy: -74.894000
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -19.807
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: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -211.453746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.453746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.453746 (E_RNA)
where:
Base-Base interactions energy: -147.987
where: short stacking energy: -58.126
Base-Backbone interact. energy: 0.583
local terms energy: -64.049979
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -206.792035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.792035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.792035 (E_RNA)
where:
Base-Base interactions energy: -127.284
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.019
local terms energy: -79.489460
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -19.922
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: 39
Temperature: 1.050000
Total energy: -211.424737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.424737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.424737 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.363
local terms energy: -83.019988
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -164.571671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.571671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.571671 (E_RNA)
where:
Base-Base interactions energy: -101.765
where: short stacking energy: -55.849
Base-Backbone interact. energy: -0.379
local terms energy: -62.427519
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -13.266
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: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -174.785401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.785401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.785401 (E_RNA)
where:
Base-Base interactions energy: -103.131
where: short stacking energy: -55.072
Base-Backbone interact. energy: -0.699
local terms energy: -70.956255
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -10.191
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: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -107.215946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.215946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.215946 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.350
local terms energy: -55.935261
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -88.824156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.824156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.824156 (E_RNA)
where:
Base-Base interactions energy: -33.388
where: short stacking energy: -33.087
Base-Backbone interact. energy: 0.535
local terms energy: -55.971013
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -5.533
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: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -104.685079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.685079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.685079 (E_RNA)
where:
Base-Base interactions energy: -49.494
where: short stacking energy: -30.215
Base-Backbone interact. energy: 2.518
local terms energy: -57.708378
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -83.608803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.608803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.608803 (E_RNA)
where:
Base-Base interactions energy: -37.011
where: short stacking energy: -29.867
Base-Backbone interact. energy: -0.104
local terms energy: -46.493400
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -218.287301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.287301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.287301 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -68.767
Base-Backbone interact. energy: -0.003
local terms energy: -80.552096
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -10.311
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: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -227.869369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.869369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.869369 (E_RNA)
where:
Base-Base interactions energy: -149.490
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.256
local terms energy: -78.123625
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.734
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: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -211.116314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.116314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.116314 (E_RNA)
where:
Base-Base interactions energy: -138.610
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.087
local terms energy: -72.419661
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -12.010
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: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -194.062123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.062123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.062123 (E_RNA)
where:
Base-Base interactions energy: -122.113
where: short stacking energy: -55.614
Base-Backbone interact. energy: -0.086
local terms energy: -71.863412
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -175.701886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.701886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.701886 (E_RNA)
where:
Base-Base interactions energy: -101.515
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.127
local terms energy: -74.059929
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -180.285106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.285106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.285106 (E_RNA)
where:
Base-Base interactions energy: -115.798
where: short stacking energy: -61.784
Base-Backbone interact. energy: -1.101
local terms energy: -63.385672
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.621
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: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -97.968419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.968419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.968419 (E_RNA)
where:
Base-Base interactions energy: -43.400
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.533
local terms energy: -54.035520
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -3.900
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: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -95.493177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.493177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.493177 (E_RNA)
where:
Base-Base interactions energy: -37.122
where: short stacking energy: -36.241
Base-Backbone interact. energy: -0.381
local terms energy: -57.990010
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -78.999566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.999566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.999566 (E_RNA)
where:
Base-Base interactions energy: -18.192
where: short stacking energy: -18.192
Base-Backbone interact. energy: 0.099
local terms energy: -60.906515
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -94.141713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141713 (E_RNA)
where:
Base-Base interactions energy: -44.263
where: short stacking energy: -29.841
Base-Backbone interact. energy: -0.119
local terms energy: -49.759478
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -216.311604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.311604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.311604 (E_RNA)
where:
Base-Base interactions energy: -140.920
where: short stacking energy: -65.441
Base-Backbone interact. energy: 0.248
local terms energy: -75.638727
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -225.721256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.721256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.721256 (E_RNA)
where:
Base-Base interactions energy: -148.785
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.158
local terms energy: -76.777645
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -206.140950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.140950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.140950 (E_RNA)
where:
Base-Base interactions energy: -134.508
where: short stacking energy: -66.526
Base-Backbone interact. energy: -0.102
local terms energy: -71.531261
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -212.527808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.527808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.527808 (E_RNA)
where:
Base-Base interactions energy: -143.398
where: short stacking energy: -57.469
Base-Backbone interact. energy: -0.259
local terms energy: -68.870933
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -8.511
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: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -185.327980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.327980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.327980 (E_RNA)
where:
Base-Base interactions energy: -120.292
where: short stacking energy: -52.920
Base-Backbone interact. energy: -0.320
local terms energy: -64.716134
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -188.037177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.037177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.037177 (E_RNA)
where:
Base-Base interactions energy: -110.884
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.084
local terms energy: -77.068556
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -98.880571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.880571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.880571 (E_RNA)
where:
Base-Base interactions energy: -44.957
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.018
local terms energy: -53.905636
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -3.891
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: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -99.652379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.652379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.652379 (E_RNA)
where:
Base-Base interactions energy: -41.118
where: short stacking energy: -34.648
Base-Backbone interact. energy: -0.023
local terms energy: -58.511554
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -86.181781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.181781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.181781 (E_RNA)
where:
Base-Base interactions energy: -28.172
where: short stacking energy: -26.502
Base-Backbone interact. energy: -0.414
local terms energy: -57.596405
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -78.841380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.841380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.841380 (E_RNA)
where:
Base-Base interactions energy: -25.224
where: short stacking energy: -25.224
Base-Backbone interact. energy: 0.554
local terms energy: -54.171707
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -233.725888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.725888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.725888 (E_RNA)
where:
Base-Base interactions energy: -146.671
where: short stacking energy: -69.149
Base-Backbone interact. energy: -1.151
local terms energy: -85.903367
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -207.358074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.358074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.358074 (E_RNA)
where:
Base-Base interactions energy: -135.166
where: short stacking energy: -71.045
Base-Backbone interact. energy: 0.203
local terms energy: -72.395819
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -14.590
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: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -209.158228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.158228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.158228 (E_RNA)
where:
Base-Base interactions energy: -138.173
where: short stacking energy: -62.500
Base-Backbone interact. energy: -0.179
local terms energy: -70.805549
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.495
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: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -189.529322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.529322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.529322 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -51.827
Base-Backbone interact. energy: -0.191
local terms energy: -69.049311
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -7.653
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: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -191.690152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.690152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.690152 (E_RNA)
where:
Base-Base interactions energy: -111.164
where: short stacking energy: -69.671
Base-Backbone interact. energy: -0.300
local terms energy: -80.226204
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -21.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -183.250614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.250614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.250614 (E_RNA)
where:
Base-Base interactions energy: -118.893
where: short stacking energy: -54.957
Base-Backbone interact. energy: -0.172
local terms energy: -64.185882
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -7.002
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -119.096375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.096375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.096375 (E_RNA)
where:
Base-Base interactions energy: -65.666
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.952
local terms energy: -52.478701
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -2.975
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -91.071336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.071336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.071336 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -29.788
Base-Backbone interact. energy: -0.128
local terms energy: -61.155237
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -97.305426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.305426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.305426 (E_RNA)
where:
Base-Base interactions energy: -38.359
where: short stacking energy: -38.359
Base-Backbone interact. energy: -0.247
local terms energy: -58.699411
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -97.715389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.715389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.715389 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -35.488
Base-Backbone interact. energy: -0.050
local terms energy: -54.379069
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -221.400000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.400000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.400000 (E_RNA)
where:
Base-Base interactions energy: -140.531
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.024
local terms energy: -80.844882
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -209.981360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.981360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.981360 (E_RNA)
where:
Base-Base interactions energy: -140.493
where: short stacking energy: -76.220
Base-Backbone interact. energy: -0.053
local terms energy: -69.435242
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -206.030512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.030512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.030512 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -61.005
Base-Backbone interact. energy: 0.187
local terms energy: -67.712615
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -224.585359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.585359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.585359 (E_RNA)
where:
Base-Base interactions energy: -145.159
where: short stacking energy: -74.352
Base-Backbone interact. energy: -0.009
local terms energy: -79.417378
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -21.930
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: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -176.886215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.886215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.886215 (E_RNA)
where:
Base-Base interactions energy: -102.444
where: short stacking energy: -55.318
Base-Backbone interact. energy: -0.033
local terms energy: -74.409128
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -115.060614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.060614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.060614 (E_RNA)
where:
Base-Base interactions energy: -67.301
where: short stacking energy: -49.963
Base-Backbone interact. energy: -0.304
local terms energy: -47.455173
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -170.389138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.389138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.389138 (E_RNA)
where:
Base-Base interactions energy: -107.341
where: short stacking energy: -48.113
Base-Backbone interact. energy: -0.067
local terms energy: -62.981394
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -11.229
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: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -100.364977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.364977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.364977 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.224
local terms energy: -55.771073
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -80.397588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.397588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.397588 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -27.554
Base-Backbone interact. energy: -0.434
local terms energy: -52.842782
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -8.671
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: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -81.625158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.625158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.625158 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -25.571
Base-Backbone interact. energy: -0.150
local terms energy: -42.534602
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: 0.368
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: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -224.179484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.179484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179484 (E_RNA)
where:
Base-Base interactions energy: -144.099
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.093
local terms energy: -79.987709
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -16.902
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: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -219.146982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146982 (E_RNA)
where:
Base-Base interactions energy: -133.503
where: short stacking energy: -76.460
Base-Backbone interact. energy: -0.050
local terms energy: -85.594288
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -21.835
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -220.846437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.846437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.846437 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.144
local terms energy: -77.279829
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.401
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -195.430035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.430035 (E_RNA)
where:
Base-Base interactions energy: -115.637
where: short stacking energy: -65.475
Base-Backbone interact. energy: -0.135
local terms energy: -79.657685
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -185.651368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.651368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.651368 (E_RNA)
where:
Base-Base interactions energy: -115.330
where: short stacking energy: -60.542
Base-Backbone interact. energy: -0.086
local terms energy: -70.235845
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -116.169865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.169865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.169865 (E_RNA)
where:
Base-Base interactions energy: -52.682
where: short stacking energy: -44.088
Base-Backbone interact. energy: -0.833
local terms energy: -62.654989
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -168.819351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.819351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.819351 (E_RNA)
where:
Base-Base interactions energy: -101.750
where: short stacking energy: -55.279
Base-Backbone interact. energy: -0.147
local terms energy: -66.922790
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -94.546045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.546045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.546045 (E_RNA)
where:
Base-Base interactions energy: -30.488
where: short stacking energy: -23.003
Base-Backbone interact. energy: -0.199
local terms energy: -63.858466
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -11.610
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: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -87.960588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.960588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.960588 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -35.066
Base-Backbone interact. energy: 0.130
local terms energy: -51.480547
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -85.064761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.064761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.064761 (E_RNA)
where:
Base-Base interactions energy: -32.878
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.133
local terms energy: -52.054237
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -7.753
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -10.123
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: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -219.539047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.539047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.539047 (E_RNA)
where:
Base-Base interactions energy: -149.563
where: short stacking energy: -69.850
Base-Backbone interact. energy: -0.003
local terms energy: -69.972907
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -9.634
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: 45
Temperature: 0.950000
Total energy: -202.800309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.800309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.800309 (E_RNA)
where:
Base-Base interactions energy: -137.245
where: short stacking energy: -70.872
Base-Backbone interact. energy: -0.075
local terms energy: -65.480594
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -7.201
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: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -209.971155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.971155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.971155 (E_RNA)
where:
Base-Base interactions energy: -129.864
where: short stacking energy: -75.630
Base-Backbone interact. energy: 2.872
local terms energy: -82.978830
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -191.155873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.155873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.155873 (E_RNA)
where:
Base-Base interactions energy: -116.261
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.725
local terms energy: -74.169545
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -187.375622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.375622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.375622 (E_RNA)
where:
Base-Base interactions energy: -114.760
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.122
local terms energy: -72.493330
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -6.238
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: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -179.049989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.049989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.049989 (E_RNA)
where:
Base-Base interactions energy: -104.258
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.023
local terms energy: -74.769591
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -13.195
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: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -100.159437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.159437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.159437 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.421
local terms energy: -50.308697
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -9.480
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: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -95.793570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.793570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.793570 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -33.254
Base-Backbone interact. energy: 0.348
local terms energy: -54.763454
where:
bonds (distance) C4'-P energy: -6.383
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -90.827783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.827783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.827783 (E_RNA)
where:
Base-Base interactions energy: -43.175
where: short stacking energy: -28.266
Base-Backbone interact. energy: 0.708
local terms energy: -48.361508
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -80.624202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.624202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.624202 (E_RNA)
where:
Base-Base interactions energy: -24.641
where: short stacking energy: -19.739
Base-Backbone interact. energy: -0.358
local terms energy: -55.625195
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -4.200
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: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -221.928580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.928580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.928580 (E_RNA)
where:
Base-Base interactions energy: -140.221
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.169
local terms energy: -81.538978
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -10.625
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: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -205.442118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.442118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.442118 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -66.427
Base-Backbone interact. energy: -0.146
local terms energy: -72.172081
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -212.002140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.002140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.002140 (E_RNA)
where:
Base-Base interactions energy: -129.764
where: short stacking energy: -66.742
Base-Backbone interact. energy: -0.066
local terms energy: -82.172184
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -11.742
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: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -191.463751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.463751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.463751 (E_RNA)
where:
Base-Base interactions energy: -117.299
where: short stacking energy: -59.574
Base-Backbone interact. energy: -0.079
local terms energy: -74.085645
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -10.203
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: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -176.512764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.512764 (E_RNA)
where:
Base-Base interactions energy: -110.647
where: short stacking energy: -56.806
Base-Backbone interact. energy: -0.178
local terms energy: -65.687586
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -8.688
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: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -163.755367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.755367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.755367 (E_RNA)
where:
Base-Base interactions energy: -94.854
where: short stacking energy: -47.491
Base-Backbone interact. energy: -0.511
local terms energy: -68.390509
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -107.061027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.061027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.061027 (E_RNA)
where:
Base-Base interactions energy: -47.538
where: short stacking energy: -33.269
Base-Backbone interact. energy: 2.174
local terms energy: -61.697443
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -91.879413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.879413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.879413 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -30.933
Base-Backbone interact. energy: -0.010
local terms energy: -50.436141
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -87.774168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.774168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.774168 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.013
local terms energy: -50.232107
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -5.729
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: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -86.562271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.562271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.562271 (E_RNA)
where:
Base-Base interactions energy: -29.931
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.010
local terms energy: -56.621326
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.820
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: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -225.482513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.482513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.482513 (E_RNA)
where:
Base-Base interactions energy: -141.422
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.005
local terms energy: -84.055811
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -214.406665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.406665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.406665 (E_RNA)
where:
Base-Base interactions energy: -129.750
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.091
local terms energy: -84.566202
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -216.521785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.521785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.521785 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -62.308
Base-Backbone interact. energy: 0.152
local terms energy: -76.366952
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -208.829350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.829350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.829350 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.062
local terms energy: -76.980140
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -182.936644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.936644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.936644 (E_RNA)
where:
Base-Base interactions energy: -122.210
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.050
local terms energy: -60.676821
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -162.444689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.444689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.444689 (E_RNA)
where:
Base-Base interactions energy: -93.109
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.103
local terms energy: -69.232210
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.412
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: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -115.590477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.590477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.590477 (E_RNA)
where:
Base-Base interactions energy: -54.038
where: short stacking energy: -39.782
Base-Backbone interact. energy: -0.134
local terms energy: -61.419070
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -11.040
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: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -115.392770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.392770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.392770 (E_RNA)
where:
Base-Base interactions energy: -51.544
where: short stacking energy: -47.570
Base-Backbone interact. energy: 0.323
local terms energy: -64.171725
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -102.818302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.818302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.818302 (E_RNA)
where:
Base-Base interactions energy: -44.846
where: short stacking energy: -32.035
Base-Backbone interact. energy: -0.441
local terms energy: -57.530720
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.423742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423742 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.125
local terms energy: -50.287038
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -209.658192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.658192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.658192 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.079
local terms energy: -78.926491
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -218.154633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.154633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.154633 (E_RNA)
where:
Base-Base interactions energy: -147.214
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.650
local terms energy: -70.290117
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -10.941
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -193.864812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864812 (E_RNA)
where:
Base-Base interactions energy: -120.551
where: short stacking energy: -55.979
Base-Backbone interact. energy: -1.151
local terms energy: -72.163094
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -204.841621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.841621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.841621 (E_RNA)
where:
Base-Base interactions energy: -135.617
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.080
local terms energy: -69.144128
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -200.624486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.624486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.624486 (E_RNA)
where:
Base-Base interactions energy: -130.523
where: short stacking energy: -52.350
Base-Backbone interact. energy: -0.011
local terms energy: -70.089645
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -173.488443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.488443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.488443 (E_RNA)
where:
Base-Base interactions energy: -109.254
where: short stacking energy: -52.786
Base-Backbone interact. energy: 0.464
local terms energy: -64.698405
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -10.342
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: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -111.621217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.621217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.621217 (E_RNA)
where:
Base-Base interactions energy: -52.119
where: short stacking energy: -33.184
Base-Backbone interact. energy: -0.296
local terms energy: -59.206501
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -94.123390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.123390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.123390 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -35.070
Base-Backbone interact. energy: 0.389
local terms energy: -59.443163
where:
bonds (distance) C4'-P energy: -4.697
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -91.634266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.634266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.634266 (E_RNA)
where:
Base-Base interactions energy: -37.006
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.147
local terms energy: -54.480876
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -81.675264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.675264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.675264 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -26.743
Base-Backbone interact. energy: 0.280
local terms energy: -48.650776
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -206.813531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.813531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.813531 (E_RNA)
where:
Base-Base interactions energy: -124.712
where: short stacking energy: -73.901
Base-Backbone interact. energy: -0.004
local terms energy: -82.097885
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -224.892260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.892260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.892260 (E_RNA)
where:
Base-Base interactions energy: -148.509
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.569
local terms energy: -75.814043
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -192.706313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.706313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.706313 (E_RNA)
where:
Base-Base interactions energy: -115.518
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.203
local terms energy: -76.986246
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -215.407138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.407138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.407138 (E_RNA)
where:
Base-Base interactions energy: -136.864
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.243
local terms energy: -78.299958
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -180.561918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.561918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.561918 (E_RNA)
where:
Base-Base interactions energy: -109.885
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.187
local terms energy: -70.490216
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -104.326613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.326613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.326613 (E_RNA)
where:
Base-Base interactions energy: -53.074
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.414
local terms energy: -50.838019
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -102.460630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.460630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.460630 (E_RNA)
where:
Base-Base interactions energy: -47.040
where: short stacking energy: -38.028
Base-Backbone interact. energy: 1.504
local terms energy: -56.924124
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -5.435
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: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -89.574805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574805 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -31.877
Base-Backbone interact. energy: 1.829
local terms energy: -56.611637
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.009
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -81.091524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.091524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.091524 (E_RNA)
where:
Base-Base interactions energy: -41.177
where: short stacking energy: -26.555
Base-Backbone interact. energy: -0.076
local terms energy: -39.838439
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -6.585
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: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -76.026144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.026144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.026144 (E_RNA)
where:
Base-Base interactions energy: -22.709
where: short stacking energy: -20.573
Base-Backbone interact. energy: -0.720
local terms energy: -52.596369
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: 0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -216.217950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.217950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.217950 (E_RNA)
where:
Base-Base interactions energy: -146.719
where: short stacking energy: -66.151
Base-Backbone interact. energy: 0.005
local terms energy: -69.504123
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.315
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: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -213.639312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.639312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.639312 (E_RNA)
where:
Base-Base interactions energy: -131.297
where: short stacking energy: -69.768
Base-Backbone interact. energy: -0.010
local terms energy: -82.332058
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -18.246
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: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -212.906680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.906680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.906680 (E_RNA)
where:
Base-Base interactions energy: -147.189
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.353
local terms energy: -65.364484
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -193.512824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.512824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.512824 (E_RNA)
where:
Base-Base interactions energy: -125.954
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.616
local terms energy: -66.942251
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -9.336
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: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -172.717447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.717447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.717447 (E_RNA)
where:
Base-Base interactions energy: -100.555
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.085
local terms energy: -72.077441
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -112.914188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.914188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.914188 (E_RNA)
where:
Base-Base interactions energy: -55.899
where: short stacking energy: -52.893
Base-Backbone interact. energy: -0.512
local terms energy: -56.503003
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -10.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -96.447958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.447958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.447958 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -33.779
Base-Backbone interact. energy: -0.112
local terms energy: -59.488523
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -91.617859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.617859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.617859 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -22.808
Base-Backbone interact. energy: -0.071
local terms energy: -61.898524
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -89.418005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.418005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.418005 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -27.815
Base-Backbone interact. energy: -0.153
local terms energy: -54.286183
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -7.593
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -5.740
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -77.074206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.074206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.074206 (E_RNA)
where:
Base-Base interactions energy: -28.879
where: short stacking energy: -21.361
Base-Backbone interact. energy: -0.715
local terms energy: -47.480377
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -216.501153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.501153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.501153 (E_RNA)
where:
Base-Base interactions energy: -136.162
where: short stacking energy: -73.791
Base-Backbone interact. energy: -0.374
local terms energy: -79.964801
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -14.675
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: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -212.908976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.908976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.908976 (E_RNA)
where:
Base-Base interactions energy: -135.564
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.397
local terms energy: -76.948483
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -202.909146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.909146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.909146 (E_RNA)
where:
Base-Base interactions energy: -123.650
where: short stacking energy: -67.679
Base-Backbone interact. energy: -0.406
local terms energy: -78.853197
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -197.340925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.340925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.340925 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -54.445
Base-Backbone interact. energy: -1.359
local terms energy: -64.322122
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -198.056791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.056791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.056791 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.130
local terms energy: -72.857881
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -12.896
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: 51
Temperature: 1.150000
Total energy: -110.936021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.936021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.936021 (E_RNA)
where:
Base-Base interactions energy: -54.281
where: short stacking energy: -33.491
Base-Backbone interact. energy: -1.023
local terms energy: -55.632391
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.021
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: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -157.616813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.616813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.616813 (E_RNA)
where:
Base-Base interactions energy: -94.808
where: short stacking energy: -42.870
Base-Backbone interact. energy: -0.261
local terms energy: -62.548361
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -7.683
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: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -100.113308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.113308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.113308 (E_RNA)
where:
Base-Base interactions energy: -41.932
where: short stacking energy: -26.320
Base-Backbone interact. energy: -0.210
local terms energy: -57.971897
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -98.370072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.370072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.370072 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -27.671
Base-Backbone interact. energy: -0.866
local terms energy: -63.989984
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -80.571201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.571201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.571201 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.555
local terms energy: -44.905201
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -7.082
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: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -215.243458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.243458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.243458 (E_RNA)
where:
Base-Base interactions energy: -140.941
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.012
local terms energy: -74.290405
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -221.504637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.504637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.504637 (E_RNA)
where:
Base-Base interactions energy: -140.537
where: short stacking energy: -76.277
Base-Backbone interact. energy: -0.096
local terms energy: -80.871339
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -208.862839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862839 (E_RNA)
where:
Base-Base interactions energy: -133.129
where: short stacking energy: -66.700
Base-Backbone interact. energy: -0.022
local terms energy: -75.711645
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -14.746
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: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -177.502803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.502803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.502803 (E_RNA)
where:
Base-Base interactions energy: -117.057
where: short stacking energy: -52.595
Base-Backbone interact. energy: 0.102
local terms energy: -60.547275
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -10.735
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: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -203.051044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.051044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.051044 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.211
local terms energy: -73.909068
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -114.189003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.189003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.189003 (E_RNA)
where:
Base-Base interactions energy: -46.973
where: short stacking energy: -46.973
Base-Backbone interact. energy: -0.049
local terms energy: -67.167007
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -166.807259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.807259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.807259 (E_RNA)
where:
Base-Base interactions energy: -97.756
where: short stacking energy: -54.446
Base-Backbone interact. energy: 0.367
local terms energy: -69.418744
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -81.523707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.523707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.523707 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.304
local terms energy: -47.084732
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -87.989423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.989423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.989423 (E_RNA)
where:
Base-Base interactions energy: -36.085
where: short stacking energy: -33.308
Base-Backbone interact. energy: -0.090
local terms energy: -51.814127
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -78.917581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.917581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.917581 (E_RNA)
where:
Base-Base interactions energy: -24.156
where: short stacking energy: -22.723
Base-Backbone interact. energy: 0.211
local terms energy: -54.972969
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -223.707483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.707483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.707483 (E_RNA)
where:
Base-Base interactions energy: -143.050
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.009
local terms energy: -80.648429
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -10.599
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: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -218.264121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264121 (E_RNA)
where:
Base-Base interactions energy: -142.308
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.265
local terms energy: -75.690987
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -215.823653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.823653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.823653 (E_RNA)
where:
Base-Base interactions energy: -137.929
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.033
local terms energy: -77.862011
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -12.170
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: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -184.517001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.517001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.517001 (E_RNA)
where:
Base-Base interactions energy: -115.987
where: short stacking energy: -48.099
Base-Backbone interact. energy: -0.379
local terms energy: -68.151438
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -193.049183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.049183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.049183 (E_RNA)
where:
Base-Base interactions energy: -120.035
where: short stacking energy: -59.882
Base-Backbone interact. energy: -0.157
local terms energy: -72.857083
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -159.425204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.425204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.425204 (E_RNA)
where:
Base-Base interactions energy: -95.874
where: short stacking energy: -40.562
Base-Backbone interact. energy: -0.437
local terms energy: -63.114494
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -91.599723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.599723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.599723 (E_RNA)
where:
Base-Base interactions energy: -41.833
where: short stacking energy: -25.393
Base-Backbone interact. energy: 0.283
local terms energy: -50.048861
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -8.384
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -96.970897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.970897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.970897 (E_RNA)
where:
Base-Base interactions energy: -31.964
where: short stacking energy: -31.964
Base-Backbone interact. energy: -0.022
local terms energy: -64.984323
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -91.121411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121411 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.489
local terms energy: -55.855744
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -2.570
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: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -74.126325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.126325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.126325 (E_RNA)
where:
Base-Base interactions energy: -24.371
where: short stacking energy: -18.211
Base-Backbone interact. energy: -0.207
local terms energy: -49.548443
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -216.749098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.749098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.749098 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -73.310
Base-Backbone interact. energy: 0.220
local terms energy: -78.707055
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -216.075625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.075625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.075625 (E_RNA)
where:
Base-Base interactions energy: -138.536
where: short stacking energy: -74.821
Base-Backbone interact. energy: -0.001
local terms energy: -77.538545
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -189.845897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.845897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.845897 (E_RNA)
where:
Base-Base interactions energy: -119.105
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.217
local terms energy: -70.523534
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -17.246
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: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -198.742378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.742378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.742378 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.143
local terms energy: -72.876533
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -8.858
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: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -185.890453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.890453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.890453 (E_RNA)
where:
Base-Base interactions energy: -117.832
where: short stacking energy: -62.802
Base-Backbone interact. energy: -1.420
local terms energy: -66.639124
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -17.094
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: 54
Temperature: 1.150000
Total energy: -181.491177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.491177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.491177 (E_RNA)
where:
Base-Base interactions energy: -115.721
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.089
local terms energy: -65.681275
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -9.189
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: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -107.587718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.587718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.587718 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -41.315
Base-Backbone interact. energy: -0.002
local terms energy: -66.671481
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -102.080442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.080442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.080442 (E_RNA)
where:
Base-Base interactions energy: -54.399
where: short stacking energy: -31.845
Base-Backbone interact. energy: -0.136
local terms energy: -47.545538
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -94.480346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.480346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.480346 (E_RNA)
where:
Base-Base interactions energy: -44.641
where: short stacking energy: -39.616
Base-Backbone interact. energy: -1.230
local terms energy: -48.609909
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -1.634
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: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -87.967543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.967543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.967543 (E_RNA)
where:
Base-Base interactions energy: -27.533
where: short stacking energy: -26.241
Base-Backbone interact. energy: -0.094
local terms energy: -60.341357
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -212.281587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.281587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.281587 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.124
local terms energy: -79.636235
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -222.985585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.985585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.985585 (E_RNA)
where:
Base-Base interactions energy: -138.831
where: short stacking energy: -76.494
Base-Backbone interact. energy: -0.774
local terms energy: -83.380971
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -21.211
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: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -195.883852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.883852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.883852 (E_RNA)
where:
Base-Base interactions energy: -120.857
where: short stacking energy: -66.785
Base-Backbone interact. energy: -0.219
local terms energy: -74.808203
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -220.848000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.848000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.848000 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -69.307
Base-Backbone interact. energy: 0.230
local terms energy: -73.862023
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -180.932303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.932303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.932303 (E_RNA)
where:
Base-Base interactions energy: -108.905
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.010
local terms energy: -72.017928
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -167.354119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.354119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.354119 (E_RNA)
where:
Base-Base interactions energy: -104.997
where: short stacking energy: -45.686
Base-Backbone interact. energy: -0.954
local terms energy: -61.403550
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -5.025
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: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -102.525950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.525950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.525950 (E_RNA)
where:
Base-Base interactions energy: -39.320
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.032
local terms energy: -63.173771
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -101.557116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.557116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.557116 (E_RNA)
where:
Base-Base interactions energy: -50.541
where: short stacking energy: -43.359
Base-Backbone interact. energy: 0.449
local terms energy: -51.465990
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -81.433313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.433313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.433313 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -31.753
Base-Backbone interact. energy: -0.971
local terms energy: -48.709338
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -84.437350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.437350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.437350 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -27.546
Base-Backbone interact. energy: -0.485
local terms energy: -52.033609
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -220.679003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.679003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.679003 (E_RNA)
where:
Base-Base interactions energy: -138.353
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.086
local terms energy: -82.239762
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -215.276572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.276572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.276572 (E_RNA)
where:
Base-Base interactions energy: -133.935
where: short stacking energy: -62.490
Base-Backbone interact. energy: -0.062
local terms energy: -81.279117
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -13.339
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: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -216.448532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.448532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.448532 (E_RNA)
where:
Base-Base interactions energy: -145.109
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.038
local terms energy: -71.301704
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -13.177
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: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -197.568879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.568879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.568879 (E_RNA)
where:
Base-Base interactions energy: -130.746
where: short stacking energy: -51.585
Base-Backbone interact. energy: -0.728
local terms energy: -66.094437
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -181.037014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.037014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.037014 (E_RNA)
where:
Base-Base interactions energy: -109.216
where: short stacking energy: -59.460
Base-Backbone interact. energy: 1.414
local terms energy: -73.235115
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -182.402125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.402125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.402125 (E_RNA)
where:
Base-Base interactions energy: -111.684
where: short stacking energy: -52.275
Base-Backbone interact. energy: 0.957
local terms energy: -71.675726
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -8.778
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: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -99.498693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.498693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.498693 (E_RNA)
where:
Base-Base interactions energy: -43.696
where: short stacking energy: -42.509
Base-Backbone interact. energy: -0.225
local terms energy: -55.578126
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -2.944
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: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -88.223813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.223813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.223813 (E_RNA)
where:
Base-Base interactions energy: -36.534
where: short stacking energy: -23.992
Base-Backbone interact. energy: -0.363
local terms energy: -51.327376
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -11.020
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: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -87.614278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.614278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.614278 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.576
local terms energy: -57.597455
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.598
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: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -85.903591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903591 (E_RNA)
where:
Base-Base interactions energy: -24.852
where: short stacking energy: -24.852
Base-Backbone interact. energy: -0.049
local terms energy: -61.002148
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -9.134
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: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -232.856521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.856521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.856521 (E_RNA)
where:
Base-Base interactions energy: -150.376
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.024
local terms energy: -82.455767
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -13.443
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: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -211.114657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.114657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.114657 (E_RNA)
where:
Base-Base interactions energy: -134.470
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.062
local terms energy: -76.582288
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -213.618180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.618180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.618180 (E_RNA)
where:
Base-Base interactions energy: -135.173
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.397
local terms energy: -78.048353
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -18.635
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: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -204.757386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.757386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.757386 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -65.508
Base-Backbone interact. energy: 1.731
local terms energy: -67.937555
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -192.252144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252144 (E_RNA)
where:
Base-Base interactions energy: -120.884
where: short stacking energy: -65.826
Base-Backbone interact. energy: -0.024
local terms energy: -71.343402
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -179.031032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.031032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.031032 (E_RNA)
where:
Base-Base interactions energy: -115.961
where: short stacking energy: -62.368
Base-Backbone interact. energy: 0.854
local terms energy: -63.924070
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -10.633
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: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -90.891488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.891488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.891488 (E_RNA)
where:
Base-Base interactions energy: -34.433
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.246
local terms energy: -56.212495
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -99.012914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.012914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.012914 (E_RNA)
where:
Base-Base interactions energy: -37.363
where: short stacking energy: -36.793
Base-Backbone interact. energy: -0.170
local terms energy: -61.479807
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -77.447329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.447329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.447329 (E_RNA)
where:
Base-Base interactions energy: -20.700
where: short stacking energy: -20.110
Base-Backbone interact. energy: -0.270
local terms energy: -56.477069
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -15.120
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: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -86.839909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.839909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.839909 (E_RNA)
where:
Base-Base interactions energy: -28.384
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.518
local terms energy: -57.938317
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -213.865436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.865436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.865436 (E_RNA)
where:
Base-Base interactions energy: -139.361
where: short stacking energy: -78.751
Base-Backbone interact. energy: 1.724
local terms energy: -76.228737
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -222.858620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.858620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.858620 (E_RNA)
where:
Base-Base interactions energy: -142.225
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.241
local terms energy: -80.393456
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -210.377201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.377201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377201 (E_RNA)
where:
Base-Base interactions energy: -134.734
where: short stacking energy: -64.050
Base-Backbone interact. energy: -0.208
local terms energy: -75.435761
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -190.904097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.904097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.904097 (E_RNA)
where:
Base-Base interactions energy: -125.225
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.026
local terms energy: -65.653549
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -206.461994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.461994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.461994 (E_RNA)
where:
Base-Base interactions energy: -133.088
where: short stacking energy: -64.432
Base-Backbone interact. energy: -0.099
local terms energy: -73.275364
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -9.772
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: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -181.235539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.235539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.235539 (E_RNA)
where:
Base-Base interactions energy: -109.142
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.086
local terms energy: -72.008447
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -110.542960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.542960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.542960 (E_RNA)
where:
Base-Base interactions energy: -57.785
where: short stacking energy: -42.778
Base-Backbone interact. energy: 1.648
local terms energy: -54.405857
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -2.005
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -106.404992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.404992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.404992 (E_RNA)
where:
Base-Base interactions energy: -45.292
where: short stacking energy: -45.292
Base-Backbone interact. energy: -0.372
local terms energy: -60.740672
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -9.716
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: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -85.107879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.107879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.107879 (E_RNA)
where:
Base-Base interactions energy: -32.138
where: short stacking energy: -32.259
Base-Backbone interact. energy: 1.032
local terms energy: -54.002096
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: 2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -80.643147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.643147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.643147 (E_RNA)
where:
Base-Base interactions energy: -29.198
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.027
local terms energy: -51.418094
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: 1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -221.645806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.645806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.645806 (E_RNA)
where:
Base-Base interactions energy: -141.006
where: short stacking energy: -78.290
Base-Backbone interact. energy: -0.175
local terms energy: -80.464572
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -229.082972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.082972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.082972 (E_RNA)
where:
Base-Base interactions energy: -154.416
where: short stacking energy: -73.300
Base-Backbone interact. energy: -0.305
local terms energy: -74.362080
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -211.276722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.276722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.276722 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.360
local terms energy: -81.888015
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -12.133
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: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -190.720473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.720473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.720473 (E_RNA)
where:
Base-Base interactions energy: -125.689
where: short stacking energy: -54.219
Base-Backbone interact. energy: -0.009
local terms energy: -65.021865
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -200.293838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.293838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.293838 (E_RNA)
where:
Base-Base interactions energy: -125.946
where: short stacking energy: -56.481
Base-Backbone interact. energy: -0.102
local terms energy: -74.245928
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -118.568057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.568057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.568057 (E_RNA)
where:
Base-Base interactions energy: -57.763
where: short stacking energy: -36.856
Base-Backbone interact. energy: 0.333
local terms energy: -61.137514
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -171.558169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.558169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.558169 (E_RNA)
where:
Base-Base interactions energy: -104.911
where: short stacking energy: -56.975
Base-Backbone interact. energy: -0.938
local terms energy: -65.709089
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -15.966
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: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -99.199329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.199329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.199329 (E_RNA)
where:
Base-Base interactions energy: -42.400
where: short stacking energy: -42.400
Base-Backbone interact. energy: -0.192
local terms energy: -56.606840
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -7.755
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: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -79.208607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.208607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.208607 (E_RNA)
where:
Base-Base interactions energy: -32.079
where: short stacking energy: -29.601
Base-Backbone interact. energy: 0.022
local terms energy: -47.151222
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -89.190606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.190606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.190606 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -23.097
Base-Backbone interact. energy: 0.788
local terms energy: -51.937543
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -228.117133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.117133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.117133 (E_RNA)
where:
Base-Base interactions energy: -152.900
where: short stacking energy: -68.770
Base-Backbone interact. energy: 0.069
local terms energy: -75.286147
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -215.117330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.117330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.117330 (E_RNA)
where:
Base-Base interactions energy: -138.755
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.425
local terms energy: -75.936759
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -219.183151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.183151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.183151 (E_RNA)
where:
Base-Base interactions energy: -135.432
where: short stacking energy: -73.141
Base-Backbone interact. energy: -0.577
local terms energy: -83.174047
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -201.807296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.807296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.807296 (E_RNA)
where:
Base-Base interactions energy: -130.440
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.488
local terms energy: -70.878901
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -16.817
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: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -194.008383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.008383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.008383 (E_RNA)
where:
Base-Base interactions energy: -124.451
where: short stacking energy: -58.219
Base-Backbone interact. energy: -0.627
local terms energy: -68.929984
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -13.559
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: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -108.553888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.553888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.553888 (E_RNA)
where:
Base-Base interactions energy: -53.607
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.504
local terms energy: -54.442882
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -9.220
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: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -159.270120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.270120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.270120 (E_RNA)
where:
Base-Base interactions energy: -101.222
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.356
local terms energy: -57.692868
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -90.534833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.534833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.534833 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -32.490
Base-Backbone interact. energy: 0.004
local terms energy: -57.602991
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -0.726
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: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -91.792622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.792622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.792622 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -33.727
Base-Backbone interact. energy: -0.156
local terms energy: -57.909354
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -88.997885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.997885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.997885 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -17.556
Base-Backbone interact. energy: 1.422
local terms energy: -54.550929
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: 4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -228.032472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.032472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.032472 (E_RNA)
where:
Base-Base interactions energy: -143.638
where: short stacking energy: -78.376
Base-Backbone interact. energy: -0.026
local terms energy: -84.368545
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -19.626
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: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -221.156147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.156147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.156147 (E_RNA)
where:
Base-Base interactions energy: -136.610
where: short stacking energy: -72.575
Base-Backbone interact. energy: 0.190
local terms energy: -84.735315
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -21.318
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: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -199.128234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.128234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.128234 (E_RNA)
where:
Base-Base interactions energy: -125.307
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.301
local terms energy: -73.520155
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -184.944833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.944833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.944833 (E_RNA)
where:
Base-Base interactions energy: -108.813
where: short stacking energy: -57.522
Base-Backbone interact. energy: -0.109
local terms energy: -76.022826
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.817
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -199.352718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352718 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -60.449
Base-Backbone interact. energy: -0.497
local terms energy: -74.356922
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -7.541
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: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -167.260421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.260421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.260421 (E_RNA)
where:
Base-Base interactions energy: -100.909
where: short stacking energy: -49.203
Base-Backbone interact. energy: -0.053
local terms energy: -66.298067
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -8.296
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: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -107.858377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.858377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.858377 (E_RNA)
where:
Base-Base interactions energy: -53.599
where: short stacking energy: -41.678
Base-Backbone interact. energy: -0.052
local terms energy: -54.207148
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -6.129
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: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -102.085630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.085630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.085630 (E_RNA)
where:
Base-Base interactions energy: -48.096
where: short stacking energy: -40.717
Base-Backbone interact. energy: -0.620
local terms energy: -53.369800
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -9.087
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: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -94.384470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.384470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.384470 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -36.709
Base-Backbone interact. energy: -0.167
local terms energy: -55.477380
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -7.196
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: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -84.448696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.448696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.448696 (E_RNA)
where:
Base-Base interactions energy: -26.012
where: short stacking energy: -25.572
Base-Backbone interact. energy: -0.765
local terms energy: -57.671913
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -211.800651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.800651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.800651 (E_RNA)
where:
Base-Base interactions energy: -136.562
where: short stacking energy: -69.626
Base-Backbone interact. energy: 0.290
local terms energy: -75.528874
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -232.707212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.707212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.707212 (E_RNA)
where:
Base-Base interactions energy: -154.423
where: short stacking energy: -65.184
Base-Backbone interact. energy: -0.187
local terms energy: -78.097646
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -193.586829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.586829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.586829 (E_RNA)
where:
Base-Base interactions energy: -115.077
where: short stacking energy: -66.141
Base-Backbone interact. energy: 0.459
local terms energy: -78.969698
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -192.538979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.538979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.538979 (E_RNA)
where:
Base-Base interactions energy: -119.723
where: short stacking energy: -62.663
Base-Backbone interact. energy: 0.522
local terms energy: -73.338798
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -189.824119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.824119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.824119 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -57.256
Base-Backbone interact. energy: -0.040
local terms energy: -66.275391
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -152.894465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.894465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.894465 (E_RNA)
where:
Base-Base interactions energy: -90.020
where: short stacking energy: -45.536
Base-Backbone interact. energy: -0.051
local terms energy: -62.823129
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -100.976523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.976523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.976523 (E_RNA)
where:
Base-Base interactions energy: -55.637
where: short stacking energy: -41.874
Base-Backbone interact. energy: 0.843
local terms energy: -46.182634
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -6.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -95.767243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.767243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.767243 (E_RNA)
where:
Base-Base interactions energy: -37.364
where: short stacking energy: -30.811
Base-Backbone interact. energy: -0.280
local terms energy: -58.123446
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -2.975
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: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -84.307364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.307364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.307364 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -32.627
Base-Backbone interact. energy: -0.377
local terms energy: -51.303802
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -81.177867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.177867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.177867 (E_RNA)
where:
Base-Base interactions energy: -34.749
where: short stacking energy: -20.154
Base-Backbone interact. energy: -0.492
local terms energy: -45.936865
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: 2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -227.053259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.053259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.053259 (E_RNA)
where:
Base-Base interactions energy: -145.503
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.044
local terms energy: -81.506165
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -17.139
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: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -205.189521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189521 (E_RNA)
where:
Base-Base interactions energy: -120.739
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.095
local terms energy: -84.355908
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -217.390197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.390197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.390197 (E_RNA)
where:
Base-Base interactions energy: -152.729
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.077
local terms energy: -64.583716
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -188.128245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.128245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.128245 (E_RNA)
where:
Base-Base interactions energy: -112.693
where: short stacking energy: -61.714
Base-Backbone interact. energy: -0.110
local terms energy: -75.325734
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -190.867928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.867928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.867928 (E_RNA)
where:
Base-Base interactions energy: -122.328
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.478
local terms energy: -68.062146
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -9.540
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: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -175.919530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.919530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.919530 (E_RNA)
where:
Base-Base interactions energy: -108.098
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.033
local terms energy: -67.788702
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -11.132
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: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -130.272484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.272484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.272484 (E_RNA)
where:
Base-Base interactions energy: -78.327
where: short stacking energy: -42.603
Base-Backbone interact. energy: -0.273
local terms energy: -51.672074
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -2.364
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: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -87.267861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.267861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.267861 (E_RNA)
where:
Base-Base interactions energy: -31.861
where: short stacking energy: -17.567
Base-Backbone interact. energy: -0.315
local terms energy: -55.092178
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -92.145612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.145612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.145612 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -35.765
Base-Backbone interact. energy: -0.012
local terms energy: -53.224869
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -86.888677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.888677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.888677 (E_RNA)
where:
Base-Base interactions energy: -34.094
where: short stacking energy: -28.422
Base-Backbone interact. energy: -0.055
local terms energy: -52.739529
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -225.355626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.355626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.355626 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -74.858
Base-Backbone interact. energy: -1.038
local terms energy: -84.525751
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -212.000000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.000000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.000000 (E_RNA)
where:
Base-Base interactions energy: -138.117
where: short stacking energy: -61.464
Base-Backbone interact. energy: -0.024
local terms energy: -73.858915
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -14.467
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: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -223.045383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.045383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.045383 (E_RNA)
where:
Base-Base interactions energy: -146.722
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.075
local terms energy: -76.248347
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -16.373
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: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -180.747198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.747198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.747198 (E_RNA)
where:
Base-Base interactions energy: -108.264
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.032
local terms energy: -72.451431
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -192.423557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.423557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.423557 (E_RNA)
where:
Base-Base interactions energy: -128.925
where: short stacking energy: -68.317
Base-Backbone interact. energy: 1.970
local terms energy: -65.468174
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -7.817
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -194.040457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.040457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.040457 (E_RNA)
where:
Base-Base interactions energy: -114.791
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.149
local terms energy: -79.100162
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -100.142180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.142180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.142180 (E_RNA)
where:
Base-Base interactions energy: -40.670
where: short stacking energy: -35.093
Base-Backbone interact. energy: -0.150
local terms energy: -59.322181
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -133.473755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.473755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.473755 (E_RNA)
where:
Base-Base interactions energy: -73.284
where: short stacking energy: -34.268
Base-Backbone interact. energy: -0.330
local terms energy: -59.859517
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.550
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: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -99.023475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.023475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.023475 (E_RNA)
where:
Base-Base interactions energy: -47.457
where: short stacking energy: -47.457
Base-Backbone interact. energy: -1.097
local terms energy: -50.469019
where:
bonds (distance) C4'-P energy: -4.934
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -95.622689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.622689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.622689 (E_RNA)
where:
Base-Base interactions energy: -35.498
where: short stacking energy: -35.498
Base-Backbone interact. energy: 1.123
local terms energy: -61.247823
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -10.955
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: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -227.454266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.454266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.454266 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -78.335
Base-Backbone interact. energy: 0.575
local terms energy: -88.187177
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -220.670926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.670926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.670926 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.043
local terms energy: -77.228196
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -11.733
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: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -206.551375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.551375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.551375 (E_RNA)
where:
Base-Base interactions energy: -127.708
where: short stacking energy: -66.278
Base-Backbone interact. energy: -0.581
local terms energy: -78.262233
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -9.992
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: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -186.425792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.425792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.425792 (E_RNA)
where:
Base-Base interactions energy: -109.507
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.011
local terms energy: -76.907765
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -188.213010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.213010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.213010 (E_RNA)
where:
Base-Base interactions energy: -113.595
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.015
local terms energy: -74.602783
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -192.643262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.643262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.643262 (E_RNA)
where:
Base-Base interactions energy: -130.434
where: short stacking energy: -69.710
Base-Backbone interact. energy: -0.057
local terms energy: -62.152655
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -7.386
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -88.635209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.635209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.635209 (E_RNA)
where:
Base-Base interactions energy: -35.937
where: short stacking energy: -35.937
Base-Backbone interact. energy: -0.144
local terms energy: -52.553538
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -1.031
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -87.614388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.614388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.614388 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -33.281
Base-Backbone interact. energy: -0.057
local terms energy: -54.276336
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -87.243685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.243685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.243685 (E_RNA)
where:
Base-Base interactions energy: -33.749
where: short stacking energy: -31.976
Base-Backbone interact. energy: -0.134
local terms energy: -53.360654
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -77.783042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.783042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.783042 (E_RNA)
where:
Base-Base interactions energy: -19.174
where: short stacking energy: -18.807
Base-Backbone interact. energy: -0.092
local terms energy: -58.516407
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -6.188
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: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -236.444383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.444383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.444383 (E_RNA)
where:
Base-Base interactions energy: -158.819
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.190
local terms energy: -77.434930
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -16.456
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: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -217.724913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.724913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.724913 (E_RNA)
where:
Base-Base interactions energy: -139.865
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.749
local terms energy: -77.111193
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -16.520
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -195.197643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.197643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.197643 (E_RNA)
where:
Base-Base interactions energy: -121.731
where: short stacking energy: -67.591
Base-Backbone interact. energy: 1.193
local terms energy: -74.659364
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -196.283150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.283150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.283150 (E_RNA)
where:
Base-Base interactions energy: -126.494
where: short stacking energy: -59.169
Base-Backbone interact. energy: -0.126
local terms energy: -69.663027
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.411
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: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -179.540273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.540273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.540273 (E_RNA)
where:
Base-Base interactions energy: -110.634
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.011
local terms energy: -68.896027
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -183.734903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.734903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.734903 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.290
local terms energy: -67.714256
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -88.668132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.668132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.668132 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.070
local terms energy: -58.508142
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.552
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: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -91.484841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.484841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.484841 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.458
local terms energy: -59.461893
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -82.405067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.405067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.405067 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -29.874
Base-Backbone interact. energy: 0.164
local terms energy: -44.841547
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: 1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -83.760885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.760885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.760885 (E_RNA)
where:
Base-Base interactions energy: -32.023
where: short stacking energy: -13.585
Base-Backbone interact. energy: 0.222
local terms energy: -51.959871
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: 3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -241.456894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.456894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.456894 (E_RNA)
where:
Base-Base interactions energy: -167.089
where: short stacking energy: -70.371
Base-Backbone interact. energy: -0.126
local terms energy: -74.241932
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -205.048342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.048342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.048342 (E_RNA)
where:
Base-Base interactions energy: -128.672
where: short stacking energy: -80.032
Base-Backbone interact. energy: -0.008
local terms energy: -76.368879
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.500
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: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -198.737561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.737561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.737561 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.050
local terms energy: -72.455539
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -208.040999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.040999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.040999 (E_RNA)
where:
Base-Base interactions energy: -128.144
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.175
local terms energy: -79.722084
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.136
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: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -185.217218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.217218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.217218 (E_RNA)
where:
Base-Base interactions energy: -117.735
where: short stacking energy: -56.275
Base-Backbone interact. energy: -2.249
local terms energy: -65.233213
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -173.266930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.266930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.266930 (E_RNA)
where:
Base-Base interactions energy: -106.430
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.696
local terms energy: -66.140537
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -101.744692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.744692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.744692 (E_RNA)
where:
Base-Base interactions energy: -43.519
where: short stacking energy: -34.654
Base-Backbone interact. energy: 3.677
local terms energy: -61.902879
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -88.151133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151133 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -34.229
Base-Backbone interact. energy: 0.761
local terms energy: -54.683415
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -79.416745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416745 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -27.652
Base-Backbone interact. energy: -0.122
local terms energy: -47.891249
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -4.734
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: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -85.538920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.538920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.538920 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -24.643
Base-Backbone interact. energy: -0.127
local terms energy: -54.526931
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -7.358
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: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -204.711428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.711428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.711428 (E_RNA)
where:
Base-Base interactions energy: -125.192
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.307
local terms energy: -79.212295
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -238.505795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.505795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.505795 (E_RNA)
where:
Base-Base interactions energy: -162.452
where: short stacking energy: -73.293
Base-Backbone interact. energy: -0.562
local terms energy: -75.491355
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -195.454476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.454476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.454476 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.561
local terms energy: -76.193756
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -207.559225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.559225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.559225 (E_RNA)
where:
Base-Base interactions energy: -128.328
where: short stacking energy: -63.754
Base-Backbone interact. energy: 0.082
local terms energy: -79.313816
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -13.163
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: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -191.412988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.412988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.412988 (E_RNA)
where:
Base-Base interactions energy: -113.661
where: short stacking energy: -58.893
Base-Backbone interact. energy: -0.193
local terms energy: -77.559031
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -173.931428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.931428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.931428 (E_RNA)
where:
Base-Base interactions energy: -107.212
where: short stacking energy: -57.405
Base-Backbone interact. energy: -0.123
local terms energy: -66.596954
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -12.325
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: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -105.041319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.041319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.041319 (E_RNA)
where:
Base-Base interactions energy: -51.487
where: short stacking energy: -45.041
Base-Backbone interact. energy: 2.276
local terms energy: -55.829796
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -7.409
flat angles P-C4'-P energy: -12.163
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: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -116.407025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.407025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.407025 (E_RNA)
where:
Base-Base interactions energy: -60.754
where: short stacking energy: -30.123
Base-Backbone interact. energy: -0.200
local terms energy: -55.452823
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: 3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -140.637852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.637852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.637852 (E_RNA)
where:
Base-Base interactions energy: -91.784
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.350
local terms energy: -48.504481
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -3.987
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: 68
Temperature: 1.350000
Total energy: -81.305242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.305242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.305242 (E_RNA)
where:
Base-Base interactions energy: -24.863
where: short stacking energy: -24.863
Base-Backbone interact. energy: -0.025
local terms energy: -56.416747
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -211.106137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.106137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.106137 (E_RNA)
where:
Base-Base interactions energy: -138.468
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.047
local terms energy: -72.590790
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -231.301175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.301175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.301175 (E_RNA)
where:
Base-Base interactions energy: -149.576
where: short stacking energy: -57.775
Base-Backbone interact. energy: -2.449
local terms energy: -79.276448
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -197.384714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.384714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.384714 (E_RNA)
where:
Base-Base interactions energy: -124.023
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.064
local terms energy: -73.297919
where:
bonds (distance) C4'-P energy: -6.529
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -204.840985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.840985 (E_RNA)
where:
Base-Base interactions energy: -137.120
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.007
local terms energy: -67.714699
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -204.536433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.536433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.536433 (E_RNA)
where:
Base-Base interactions energy: -126.199
where: short stacking energy: -60.053
Base-Backbone interact. energy: -0.190
local terms energy: -78.148002
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -178.937256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.937256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.937256 (E_RNA)
where:
Base-Base interactions energy: -109.301
where: short stacking energy: -56.927
Base-Backbone interact. energy: -2.020
local terms energy: -67.615795
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -88.436748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.436748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.436748 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -29.468
Base-Backbone interact. energy: 0.960
local terms energy: -47.539764
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -147.243345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.243345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.243345 (E_RNA)
where:
Base-Base interactions energy: -83.976
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.202
local terms energy: -63.064732
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -90.641439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.641439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.641439 (E_RNA)
where:
Base-Base interactions energy: -35.799
where: short stacking energy: -23.472
Base-Backbone interact. energy: -0.216
local terms energy: -54.626546
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -77.877982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.877982 (E_RNA)
where:
Base-Base interactions energy: -25.548
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.285
local terms energy: -52.045282
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -10.752
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: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -236.158462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.158462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.158462 (E_RNA)
where:
Base-Base interactions energy: -155.544
where: short stacking energy: -62.999
Base-Backbone interact. energy: -1.273
local terms energy: -79.341660
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.597
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: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -213.040879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.040879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.040879 (E_RNA)
where:
Base-Base interactions energy: -140.982
where: short stacking energy: -63.691
Base-Backbone interact. energy: -0.311
local terms energy: -71.747559
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.803
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: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -217.230272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.230272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.230272 (E_RNA)
where:
Base-Base interactions energy: -142.933
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.053
local terms energy: -74.244798
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -189.911329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.911329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.911329 (E_RNA)
where:
Base-Base interactions energy: -117.865
where: short stacking energy: -60.940
Base-Backbone interact. energy: 0.081
local terms energy: -72.126664
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -13.974
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: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -210.724311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.724311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.724311 (E_RNA)
where:
Base-Base interactions energy: -138.821
where: short stacking energy: -74.292
Base-Backbone interact. energy: -0.514
local terms energy: -71.388977
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -175.809795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.809795 (E_RNA)
where:
Base-Base interactions energy: -109.487
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.194
local terms energy: -66.128140
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -124.735512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.735512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.735512 (E_RNA)
where:
Base-Base interactions energy: -71.925
where: short stacking energy: -46.563
Base-Backbone interact. energy: -0.440
local terms energy: -52.369670
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -12.728
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: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -89.967858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.967858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.967858 (E_RNA)
where:
Base-Base interactions energy: -43.659
where: short stacking energy: -34.334
Base-Backbone interact. energy: -0.454
local terms energy: -45.854959
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -91.053906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.053906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.053906 (E_RNA)
where:
Base-Base interactions energy: -40.198
where: short stacking energy: -23.279
Base-Backbone interact. energy: -0.539
local terms energy: -50.316463
where:
bonds (distance) C4'-P energy: -6.834
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -84.108443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.108443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.108443 (E_RNA)
where:
Base-Base interactions energy: -31.415
where: short stacking energy: -27.554
Base-Backbone interact. energy: 1.181
local terms energy: -53.873902
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -252.650209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.650209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.650209 (E_RNA)
where:
Base-Base interactions energy: -180.012
where: short stacking energy: -77.064
Base-Backbone interact. energy: -0.158
local terms energy: -72.480428
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -17.680
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -209.582388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.582388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.582388 (E_RNA)
where:
Base-Base interactions energy: -132.238
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.048
local terms energy: -77.296418
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -14.079
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: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -207.887108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.887108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.887108 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -56.932
Base-Backbone interact. energy: -0.104
local terms energy: -76.520845
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -204.133592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.133592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.133592 (E_RNA)
where:
Base-Base interactions energy: -130.623
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.008
local terms energy: -73.502315
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -6.337
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: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -174.053687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.053687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.053687 (E_RNA)
where:
Base-Base interactions energy: -102.276
where: short stacking energy: -56.889
Base-Backbone interact. energy: -0.182
local terms energy: -71.595672
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -185.026451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.026451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.026451 (E_RNA)
where:
Base-Base interactions energy: -109.540
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.444
local terms energy: -75.042576
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -15.845
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: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -135.326796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.326796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.326796 (E_RNA)
where:
Base-Base interactions energy: -70.996
where: short stacking energy: -40.350
Base-Backbone interact. energy: -0.347
local terms energy: -63.982955
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -117.027729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.027729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.027729 (E_RNA)
where:
Base-Base interactions energy: -56.504
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.728
local terms energy: -59.795347
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -79.856771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.856771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.856771 (E_RNA)
where:
Base-Base interactions energy: -20.370
where: short stacking energy: -20.370
Base-Backbone interact. energy: -0.909
local terms energy: -58.577617
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -11.300
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: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -86.428523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.428523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.428523 (E_RNA)
where:
Base-Base interactions energy: -46.573
where: short stacking energy: -21.760
Base-Backbone interact. energy: -0.129
local terms energy: -39.725949
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -263.112463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.112463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.112463 (E_RNA)
where:
Base-Base interactions energy: -180.961
where: short stacking energy: -72.856
Base-Backbone interact. energy: 0.086
local terms energy: -82.237558
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -19.961
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: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -229.717695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.717695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.717695 (E_RNA)
where:
Base-Base interactions energy: -151.114
where: short stacking energy: -69.692
Base-Backbone interact. energy: -0.843
local terms energy: -77.760577
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -18.418
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: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -207.230190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.230190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.230190 (E_RNA)
where:
Base-Base interactions energy: -135.987
where: short stacking energy: -59.035
Base-Backbone interact. energy: -1.470
local terms energy: -69.772934
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -219.945151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.945151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.945151 (E_RNA)
where:
Base-Base interactions energy: -135.332
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.538
local terms energy: -84.075033
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -25.018
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: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -171.258629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.258629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.258629 (E_RNA)
where:
Base-Base interactions energy: -105.093
where: short stacking energy: -57.304
Base-Backbone interact. energy: 0.713
local terms energy: -66.878428
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -166.377974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.377974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.377974 (E_RNA)
where:
Base-Base interactions energy: -101.577
where: short stacking energy: -53.853
Base-Backbone interact. energy: 2.269
local terms energy: -67.070417
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -112.474157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.474157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.474157 (E_RNA)
where:
Base-Base interactions energy: -60.086
where: short stacking energy: -27.988
Base-Backbone interact. energy: -0.597
local terms energy: -51.791567
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -95.710002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.710002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.710002 (E_RNA)
where:
Base-Base interactions energy: -44.245
where: short stacking energy: -39.590
Base-Backbone interact. energy: -0.253
local terms energy: -51.212409
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -12.213
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: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -90.915269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.915269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.915269 (E_RNA)
where:
Base-Base interactions energy: -30.789
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.219
local terms energy: -59.907158
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -92.660172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.660172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.660172 (E_RNA)
where:
Base-Base interactions energy: -40.685
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.160
local terms energy: -51.815036
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -247.074141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.074141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.074141 (E_RNA)
where:
Base-Base interactions energy: -170.635
where: short stacking energy: -67.855
Base-Backbone interact. energy: 0.263
local terms energy: -76.702328
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -17.303
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: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -220.070695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.070695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.070695 (E_RNA)
where:
Base-Base interactions energy: -139.666
where: short stacking energy: -64.512
Base-Backbone interact. energy: -0.130
local terms energy: -80.275469
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -11.563
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: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -202.683581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.683581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.683581 (E_RNA)
where:
Base-Base interactions energy: -122.297
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.547
local terms energy: -79.839546
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -219.555557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.555557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.555557 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -83.865
Base-Backbone interact. energy: -0.080
local terms energy: -76.728165
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -178.560623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.560623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.560623 (E_RNA)
where:
Base-Base interactions energy: -117.646
where: short stacking energy: -57.266
Base-Backbone interact. energy: -0.162
local terms energy: -60.753305
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -154.835192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.835192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.835192 (E_RNA)
where:
Base-Base interactions energy: -92.840
where: short stacking energy: -44.692
Base-Backbone interact. energy: -0.948
local terms energy: -61.046985
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -134.804311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.804311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.804311 (E_RNA)
where:
Base-Base interactions energy: -78.347
where: short stacking energy: -54.732
Base-Backbone interact. energy: -0.175
local terms energy: -56.282642
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -10.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -98.803764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803764 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.407
local terms energy: -55.441164
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -11.555
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: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -89.572869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.572869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.572869 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -33.789
Base-Backbone interact. energy: 0.301
local terms energy: -55.826136
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -5.399
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: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.824608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.824608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.824608 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.399
local terms energy: -54.535620
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: 2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -216.962369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.962369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.962369 (E_RNA)
where:
Base-Base interactions energy: -145.351
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.012
local terms energy: -71.599490
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -240.427119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.427119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.427119 (E_RNA)
where:
Base-Base interactions energy: -164.764
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.460
local terms energy: -75.203495
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -227.533131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.533131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.533131 (E_RNA)
where:
Base-Base interactions energy: -140.489
where: short stacking energy: -82.419
Base-Backbone interact. energy: -0.298
local terms energy: -86.746251
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -203.891826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.891826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.891826 (E_RNA)
where:
Base-Base interactions energy: -123.424
where: short stacking energy: -67.380
Base-Backbone interact. energy: 1.065
local terms energy: -81.532332
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -23.123
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: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -173.994323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.994323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.994323 (E_RNA)
where:
Base-Base interactions energy: -110.525
where: short stacking energy: -60.758
Base-Backbone interact. energy: -0.115
local terms energy: -63.354527
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -174.365085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.365085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.365085 (E_RNA)
where:
Base-Base interactions energy: -102.389
where: short stacking energy: -53.421
Base-Backbone interact. energy: -0.175
local terms energy: -71.800868
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -87.178046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.178046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.178046 (E_RNA)
where:
Base-Base interactions energy: -31.636
where: short stacking energy: -26.421
Base-Backbone interact. energy: -0.144
local terms energy: -55.397315
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -101.926090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.926090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.926090 (E_RNA)
where:
Base-Base interactions energy: -47.597
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.145
local terms energy: -54.184065
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -93.005341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005341 (E_RNA)
where:
Base-Base interactions energy: -36.011
where: short stacking energy: -27.910
Base-Backbone interact. energy: -1.201
local terms energy: -55.792905
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -99.434031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.434031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.434031 (E_RNA)
where:
Base-Base interactions energy: -41.057
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.101
local terms energy: -58.276034
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -226.302967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.302967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.302967 (E_RNA)
where:
Base-Base interactions energy: -143.846
where: short stacking energy: -60.852
Base-Backbone interact. energy: -1.076
local terms energy: -81.381898
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -248.447752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.447752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.447752 (E_RNA)
where:
Base-Base interactions energy: -165.741
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.351
local terms energy: -82.356242
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -223.708902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.708902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.708902 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -78.176
Base-Backbone interact. energy: -0.027
local terms energy: -82.311113
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -189.714056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.714056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.714056 (E_RNA)
where:
Base-Base interactions energy: -112.805
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.543
local terms energy: -76.366605
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -168.617087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.617087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.617087 (E_RNA)
where:
Base-Base interactions energy: -100.604
where: short stacking energy: -61.793
Base-Backbone interact. energy: 0.317
local terms energy: -68.330017
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -158.948963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.948963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.948963 (E_RNA)
where:
Base-Base interactions energy: -98.501
where: short stacking energy: -45.978
Base-Backbone interact. energy: -0.090
local terms energy: -60.357712
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -10.520
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: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -99.586376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.586376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.586376 (E_RNA)
where:
Base-Base interactions energy: -41.399
where: short stacking energy: -39.918
Base-Backbone interact. energy: -0.125
local terms energy: -58.061992
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -4.841
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -98.891777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.891777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.891777 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.111
local terms energy: -60.646874
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -88.316287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.316287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.316287 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -32.501
Base-Backbone interact. energy: -0.065
local terms energy: -54.351661
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -87.924275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924275 (E_RNA)
where:
Base-Base interactions energy: -35.272
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.103
local terms energy: -52.549196
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -253.110107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.110107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.110107 (E_RNA)
where:
Base-Base interactions energy: -172.181
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.930
local terms energy: -79.999201
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -212.173582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.173582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.173582 (E_RNA)
where:
Base-Base interactions energy: -140.105
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.002
local terms energy: -72.066555
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -210.316730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.316730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.316730 (E_RNA)
where:
Base-Base interactions energy: -134.082
where: short stacking energy: -70.509
Base-Backbone interact. energy: -0.297
local terms energy: -75.938151
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -15.815
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: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -196.449214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.449214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.449214 (E_RNA)
where:
Base-Base interactions energy: -125.966
where: short stacking energy: -59.896
Base-Backbone interact. energy: -0.021
local terms energy: -70.462322
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -198.652650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.652650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.652650 (E_RNA)
where:
Base-Base interactions energy: -126.580
where: short stacking energy: -67.968
Base-Backbone interact. energy: -0.101
local terms energy: -71.971504
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -176.163266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.163266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.163266 (E_RNA)
where:
Base-Base interactions energy: -102.671
where: short stacking energy: -47.443
Base-Backbone interact. energy: -0.040
local terms energy: -73.451570
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -91.543920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.543920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.543920 (E_RNA)
where:
Base-Base interactions energy: -30.278
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.398
local terms energy: -60.867020
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -98.280253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280253 (E_RNA)
where:
Base-Base interactions energy: -34.355
where: short stacking energy: -33.803
Base-Backbone interact. energy: 0.245
local terms energy: -64.170512
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -94.996582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.996582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.996582 (E_RNA)
where:
Base-Base interactions energy: -33.862
where: short stacking energy: -31.179
Base-Backbone interact. energy: 0.315
local terms energy: -61.449933
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -94.243060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.243060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.243060 (E_RNA)
where:
Base-Base interactions energy: -45.744
where: short stacking energy: -24.900
Base-Backbone interact. energy: -0.058
local terms energy: -48.441581
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -250.522511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.522511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.522511 (E_RNA)
where:
Base-Base interactions energy: -170.147
where: short stacking energy: -67.733
Base-Backbone interact. energy: -1.027
local terms energy: -79.348650
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -8.139
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: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -201.758128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.758128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.758128 (E_RNA)
where:
Base-Base interactions energy: -128.433
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.673
local terms energy: -72.652993
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -213.964144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.964144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.964144 (E_RNA)
where:
Base-Base interactions energy: -132.726
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.008
local terms energy: -81.230263
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -199.785826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.785826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.785826 (E_RNA)
where:
Base-Base interactions energy: -127.242
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.147
local terms energy: -72.396218
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -192.313053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.313053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.313053 (E_RNA)
where:
Base-Base interactions energy: -123.826
where: short stacking energy: -53.613
Base-Backbone interact. energy: -0.008
local terms energy: -68.479088
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -173.253047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.253047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.253047 (E_RNA)
where:
Base-Base interactions energy: -109.542
where: short stacking energy: -40.949
Base-Backbone interact. energy: 2.902
local terms energy: -66.613134
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -6.279
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: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -93.021858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.021858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.021858 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.862
local terms energy: -60.428020
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -82.410698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.410698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.410698 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -22.235
Base-Backbone interact. energy: -0.287
local terms energy: -53.856391
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.486
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: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -84.762418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.762418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.762418 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -26.010
Base-Backbone interact. energy: -0.079
local terms energy: -55.980505
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -86.261289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.261289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.261289 (E_RNA)
where:
Base-Base interactions energy: -33.736
where: short stacking energy: -30.000
Base-Backbone interact. energy: -0.586
local terms energy: -51.938757
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -258.307331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.307331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.307331 (E_RNA)
where:
Base-Base interactions energy: -176.644
where: short stacking energy: -67.378
Base-Backbone interact. energy: 0.604
local terms energy: -82.266807
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -203.047056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.047056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.047056 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.736
local terms energy: -72.403165
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -9.973
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: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -210.945647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.945647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.945647 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.117
local terms energy: -72.966849
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -20.176
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: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -186.968466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.968466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.968466 (E_RNA)
where:
Base-Base interactions energy: -119.130
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.062
local terms energy: -67.776557
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -17.742
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -188.448917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.448917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448917 (E_RNA)
where:
Base-Base interactions energy: -118.426
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.109
local terms energy: -69.913274
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -169.034959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.034959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.034959 (E_RNA)
where:
Base-Base interactions energy: -102.218
where: short stacking energy: -40.603
Base-Backbone interact. energy: -0.587
local terms energy: -66.230155
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -105.419406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.419406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.419406 (E_RNA)
where:
Base-Base interactions energy: -53.179
where: short stacking energy: -32.016
Base-Backbone interact. energy: -0.390
local terms energy: -51.849747
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -108.168758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.168758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.168758 (E_RNA)
where:
Base-Base interactions energy: -57.294
where: short stacking energy: -46.777
Base-Backbone interact. energy: -0.064
local terms energy: -50.810889
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -87.565666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.565666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.565666 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -25.520
Base-Backbone interact. energy: -0.194
local terms energy: -55.952992
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.003
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: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -76.701570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.701570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.701570 (E_RNA)
where:
Base-Base interactions energy: -28.447
where: short stacking energy: -13.090
Base-Backbone interact. energy: -0.619
local terms energy: -47.635154
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: 2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -257.052157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.052157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.052157 (E_RNA)
where:
Base-Base interactions energy: -180.659
where: short stacking energy: -68.543
Base-Backbone interact. energy: 0.111
local terms energy: -76.504001
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -227.395964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.395964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.395964 (E_RNA)
where:
Base-Base interactions energy: -153.302
where: short stacking energy: -63.166
Base-Backbone interact. energy: -1.474
local terms energy: -72.619523
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -209.849145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.849145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.849145 (E_RNA)
where:
Base-Base interactions energy: -137.001
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.102
local terms energy: -72.746344
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -175.682576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.682576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.682576 (E_RNA)
where:
Base-Base interactions energy: -114.175
where: short stacking energy: -52.521
Base-Backbone interact. energy: -0.226
local terms energy: -61.281066
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -5.293
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: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -181.273462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.273462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.273462 (E_RNA)
where:
Base-Base interactions energy: -109.933
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.024
local terms energy: -71.317251
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -168.675220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.675220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.675220 (E_RNA)
where:
Base-Base interactions energy: -99.295
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.035
local terms energy: -69.345337
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -104.323812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.323812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.323812 (E_RNA)
where:
Base-Base interactions energy: -43.452
where: short stacking energy: -35.546
Base-Backbone interact. energy: -0.413
local terms energy: -60.459408
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -96.355235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.355235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.355235 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.170
local terms energy: -63.548099
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -86.965210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.965210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.965210 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -20.677
Base-Backbone interact. energy: -0.144
local terms energy: -48.762088
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: 4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -88.179521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.179521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.179521 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -31.508
Base-Backbone interact. energy: -0.127
local terms energy: -56.543953
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -250.066489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.066489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.066489 (E_RNA)
where:
Base-Base interactions energy: -171.070
where: short stacking energy: -69.067
Base-Backbone interact. energy: -0.404
local terms energy: -78.592514
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -221.826378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.826378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.826378 (E_RNA)
where:
Base-Base interactions energy: -141.010
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.420
local terms energy: -80.396543
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -211.664417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.664417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.664417 (E_RNA)
where:
Base-Base interactions energy: -129.719
where: short stacking energy: -65.649
Base-Backbone interact. energy: -0.639
local terms energy: -81.306132
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -187.518493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.518493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.518493 (E_RNA)
where:
Base-Base interactions energy: -116.339
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.341
local terms energy: -70.838736
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -162.958775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.958775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.958775 (E_RNA)
where:
Base-Base interactions energy: -95.549
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.045
local terms energy: -67.364652
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -188.505974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.505974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.505974 (E_RNA)
where:
Base-Base interactions energy: -110.070
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.688
local terms energy: -77.747946
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -9.079
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: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -114.611284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.611284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.611284 (E_RNA)
where:
Base-Base interactions energy: -50.336
where: short stacking energy: -50.589
Base-Backbone interact. energy: -0.069
local terms energy: -64.205455
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -9.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -92.144985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144985 (E_RNA)
where:
Base-Base interactions energy: -44.048
where: short stacking energy: -33.173
Base-Backbone interact. energy: -0.123
local terms energy: -47.974139
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -96.753703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.753703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.753703 (E_RNA)
where:
Base-Base interactions energy: -37.592
where: short stacking energy: -31.060
Base-Backbone interact. energy: -0.382
local terms energy: -58.779870
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -87.474750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.474750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.474750 (E_RNA)
where:
Base-Base interactions energy: -33.057
where: short stacking energy: -33.057
Base-Backbone interact. energy: -0.208
local terms energy: -54.209838
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -251.249359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.249359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.249359 (E_RNA)
where:
Base-Base interactions energy: -173.434
where: short stacking energy: -62.133
Base-Backbone interact. energy: -0.597
local terms energy: -77.217521
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -14.298
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: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -216.640860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.640860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.640860 (E_RNA)
where:
Base-Base interactions energy: -132.696
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.488
local terms energy: -83.457044
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -219.137985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.137985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.137985 (E_RNA)
where:
Base-Base interactions energy: -140.893
where: short stacking energy: -64.575
Base-Backbone interact. energy: -0.115
local terms energy: -78.129946
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -156.037999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.037999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.037999 (E_RNA)
where:
Base-Base interactions energy: -99.692
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.143
local terms energy: -56.203330
where:
bonds (distance) C4'-P energy: -7.620
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -185.708441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.708441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.708441 (E_RNA)
where:
Base-Base interactions energy: -119.117
where: short stacking energy: -46.848
Base-Backbone interact. energy: -0.075
local terms energy: -66.517239
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -173.380310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.380310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.380310 (E_RNA)
where:
Base-Base interactions energy: -107.099
where: short stacking energy: -57.607
Base-Backbone interact. energy: 0.156
local terms energy: -66.437216
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -12.681
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: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -104.099813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.099813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.099813 (E_RNA)
where:
Base-Base interactions energy: -50.868
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.525
local terms energy: -52.706288
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -5.541
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -6.159
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: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -93.774646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.774646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.774646 (E_RNA)
where:
Base-Base interactions energy: -44.365
where: short stacking energy: -38.976
Base-Backbone interact. energy: 0.543
local terms energy: -49.952444
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -87.029609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029609 (E_RNA)
where:
Base-Base interactions energy: -44.942
where: short stacking energy: -29.730
Base-Backbone interact. energy: -0.962
local terms energy: -41.125923
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -84.854172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.854172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.854172 (E_RNA)
where:
Base-Base interactions energy: -31.270
where: short stacking energy: -21.242
Base-Backbone interact. energy: -1.570
local terms energy: -52.014342
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: 2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -245.515545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.515545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.515545 (E_RNA)
where:
Base-Base interactions energy: -168.487
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.144
local terms energy: -76.884511
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -218.465491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.465491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.465491 (E_RNA)
where:
Base-Base interactions energy: -140.773
where: short stacking energy: -70.650
Base-Backbone interact. energy: -0.050
local terms energy: -77.642769
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -213.799871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.799871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.799871 (E_RNA)
where:
Base-Base interactions energy: -132.506
where: short stacking energy: -52.413
Base-Backbone interact. energy: -0.151
local terms energy: -81.142750
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -202.024438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.024438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.024438 (E_RNA)
where:
Base-Base interactions energy: -122.139
where: short stacking energy: -74.220
Base-Backbone interact. energy: 0.228
local terms energy: -80.113397
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.717
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: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -189.132891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.132891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.132891 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -57.295
Base-Backbone interact. energy: -0.086
local terms energy: -73.335264
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -163.036122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.036122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.036122 (E_RNA)
where:
Base-Base interactions energy: -95.956
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.010
local terms energy: -67.069868
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -100.217322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.217322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.217322 (E_RNA)
where:
Base-Base interactions energy: -39.552
where: short stacking energy: -34.239
Base-Backbone interact. energy: -0.093
local terms energy: -60.571435
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -85.957658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.957658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.957658 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -41.992
Base-Backbone interact. energy: -0.084
local terms energy: -43.881444
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -4.916
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -106.360353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.360353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.360353 (E_RNA)
where:
Base-Base interactions energy: -57.947
where: short stacking energy: -32.270
Base-Backbone interact. energy: -0.143
local terms energy: -48.269791
where:
bonds (distance) C4'-P energy: -6.797
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -13.764
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: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -88.079957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.079957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.079957 (E_RNA)
where:
Base-Base interactions energy: -30.730
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.347
local terms energy: -57.003568
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -6.627
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: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -253.197291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.197291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.197291 (E_RNA)
where:
Base-Base interactions energy: -175.509
where: short stacking energy: -73.651
Base-Backbone interact. energy: 0.183
local terms energy: -77.871422
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -221.075400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075400 (E_RNA)
where:
Base-Base interactions energy: -152.145
where: short stacking energy: -57.734
Base-Backbone interact. energy: -0.121
local terms energy: -68.809514
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -13.114
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: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -211.573030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.573030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.573030 (E_RNA)
where:
Base-Base interactions energy: -140.197
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.340
local terms energy: -71.035485
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -18.020
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: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -197.460191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.460191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.460191 (E_RNA)
where:
Base-Base interactions energy: -116.812
where: short stacking energy: -59.347
Base-Backbone interact. energy: -0.115
local terms energy: -80.533093
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -181.675015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.675015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675015 (E_RNA)
where:
Base-Base interactions energy: -111.085
where: short stacking energy: -49.656
Base-Backbone interact. energy: 0.852
local terms energy: -71.441546
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -10.838
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: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -154.532247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.532247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.532247 (E_RNA)
where:
Base-Base interactions energy: -88.009
where: short stacking energy: -51.183
Base-Backbone interact. energy: -0.684
local terms energy: -65.839670
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -97.500939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.500939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.500939 (E_RNA)
where:
Base-Base interactions energy: -47.582
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.504
local terms energy: -49.414440
where:
bonds (distance) C4'-P energy: -4.428
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -98.870595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.870595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.870595 (E_RNA)
where:
Base-Base interactions energy: -47.231
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.211
local terms energy: -51.428652
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.410
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: 83
Temperature: 1.300000
Total energy: -90.545303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.545303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.545303 (E_RNA)
where:
Base-Base interactions energy: -35.466
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.009
local terms energy: -55.070624
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -86.940777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.940777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.940777 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -27.404
Base-Backbone interact. energy: -0.230
local terms energy: -50.566311
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -254.018672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.018672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.018672 (E_RNA)
where:
Base-Base interactions energy: -175.233
where: short stacking energy: -74.161
Base-Backbone interact. energy: 0.141
local terms energy: -78.926892
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -219.869783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.869783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.869783 (E_RNA)
where:
Base-Base interactions energy: -143.851
where: short stacking energy: -67.853
Base-Backbone interact. energy: -0.021
local terms energy: -75.997547
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -198.861939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.861939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.861939 (E_RNA)
where:
Base-Base interactions energy: -129.380
where: short stacking energy: -57.176
Base-Backbone interact. energy: 0.078
local terms energy: -69.560154
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -209.598472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.598472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.598472 (E_RNA)
where:
Base-Base interactions energy: -132.460
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.887
local terms energy: -76.251137
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -17.833
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: 84
Temperature: 1.100000
Total energy: -179.500829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.500829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.500829 (E_RNA)
where:
Base-Base interactions energy: -116.073
where: short stacking energy: -53.539
Base-Backbone interact. energy: -0.366
local terms energy: -63.062037
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -189.473209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.473209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.473209 (E_RNA)
where:
Base-Base interactions energy: -119.881
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.183
local terms energy: -69.409549
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -101.177712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.177712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.177712 (E_RNA)
where:
Base-Base interactions energy: -45.845
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.001
local terms energy: -55.331132
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -91.626917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.626917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.626917 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -29.613
Base-Backbone interact. energy: 0.830
local terms energy: -58.124163
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -99.617737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.617737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.617737 (E_RNA)
where:
Base-Base interactions energy: -35.755
where: short stacking energy: -35.755
Base-Backbone interact. energy: -1.008
local terms energy: -62.854807
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -9.647
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: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -87.144820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144820 (E_RNA)
where:
Base-Base interactions energy: -40.962
where: short stacking energy: -29.221
Base-Backbone interact. energy: -0.126
local terms energy: -46.057383
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: 2.244
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -249.526929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.526929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.526929 (E_RNA)
where:
Base-Base interactions energy: -175.217
where: short stacking energy: -69.819
Base-Backbone interact. energy: -0.798
local terms energy: -73.511904
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -219.711789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.711789 (E_RNA)
where:
Base-Base interactions energy: -148.445
where: short stacking energy: -61.617
Base-Backbone interact. energy: -0.276
local terms energy: -70.990198
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -189.027566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.027566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.027566 (E_RNA)
where:
Base-Base interactions energy: -117.220
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.085
local terms energy: -71.723134
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -207.740291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.740291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.740291 (E_RNA)
where:
Base-Base interactions energy: -133.679
where: short stacking energy: -66.869
Base-Backbone interact. energy: 2.130
local terms energy: -76.191388
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -184.984460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.984460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.984460 (E_RNA)
where:
Base-Base interactions energy: -113.892
where: short stacking energy: -65.193
Base-Backbone interact. energy: -0.066
local terms energy: -71.026582
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -176.093234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.093234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.093234 (E_RNA)
where:
Base-Base interactions energy: -111.160
where: short stacking energy: -49.922
Base-Backbone interact. energy: -0.199
local terms energy: -64.734283
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -98.585119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.585119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.585119 (E_RNA)
where:
Base-Base interactions energy: -51.134
where: short stacking energy: -41.907
Base-Backbone interact. energy: -0.290
local terms energy: -47.161078
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -96.225099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.225099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.225099 (E_RNA)
where:
Base-Base interactions energy: -45.325
where: short stacking energy: -41.858
Base-Backbone interact. energy: 0.054
local terms energy: -50.954454
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -108.461697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.461697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.461697 (E_RNA)
where:
Base-Base interactions energy: -63.183
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.030
local terms energy: -45.248372
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -92.999061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999061 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -37.719
Base-Backbone interact. energy: -0.070
local terms energy: -53.787838
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -249.601465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.601465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.601465 (E_RNA)
where:
Base-Base interactions energy: -172.526
where: short stacking energy: -70.114
Base-Backbone interact. energy: -0.302
local terms energy: -76.773787
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -218.865583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.865583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.865583 (E_RNA)
where:
Base-Base interactions energy: -138.291
where: short stacking energy: -69.480
Base-Backbone interact. energy: 0.629
local terms energy: -81.203803
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -198.293466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.293466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.293466 (E_RNA)
where:
Base-Base interactions energy: -132.504
where: short stacking energy: -61.864
Base-Backbone interact. energy: 0.300
local terms energy: -66.090147
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -186.206700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.206700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.206700 (E_RNA)
where:
Base-Base interactions energy: -112.265
where: short stacking energy: -58.380
Base-Backbone interact. energy: -0.064
local terms energy: -73.877334
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -178.022298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.022298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.022298 (E_RNA)
where:
Base-Base interactions energy: -109.117
where: short stacking energy: -56.294
Base-Backbone interact. energy: 2.144
local terms energy: -71.049155
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -170.911979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.911979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.911979 (E_RNA)
where:
Base-Base interactions energy: -109.404
where: short stacking energy: -43.798
Base-Backbone interact. energy: -0.330
local terms energy: -61.177340
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -104.158711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.158711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.158711 (E_RNA)
where:
Base-Base interactions energy: -55.241
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.497
local terms energy: -48.419966
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -101.215888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.215888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.215888 (E_RNA)
where:
Base-Base interactions energy: -40.147
where: short stacking energy: -40.147
Base-Backbone interact. energy: 1.860
local terms energy: -62.928380
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -82.957496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.957496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.957496 (E_RNA)
where:
Base-Base interactions energy: -22.717
where: short stacking energy: -22.258
Base-Backbone interact. energy: 2.133
local terms energy: -62.373368
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -114.966608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.966608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.966608 (E_RNA)
where:
Base-Base interactions energy: -66.925
where: short stacking energy: -34.158
Base-Backbone interact. energy: -0.232
local terms energy: -47.809602
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -1.740
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: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -263.737574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.737574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.737574 (E_RNA)
where:
Base-Base interactions energy: -176.068
where: short stacking energy: -79.669
Base-Backbone interact. energy: -0.423
local terms energy: -87.246675
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -201.352766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.352766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.352766 (E_RNA)
where:
Base-Base interactions energy: -125.081
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.413
local terms energy: -75.857888
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -215.739812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.739812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.739812 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -74.964
Base-Backbone interact. energy: -0.046
local terms energy: -78.931169
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -191.306495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.306495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.306495 (E_RNA)
where:
Base-Base interactions energy: -115.977
where: short stacking energy: -41.921
Base-Backbone interact. energy: -0.042
local terms energy: -75.288207
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -10.500
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: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -179.235645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.235645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.235645 (E_RNA)
where:
Base-Base interactions energy: -106.289
where: short stacking energy: -51.288
Base-Backbone interact. energy: 0.733
local terms energy: -73.679546
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -182.714603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.714603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.714603 (E_RNA)
where:
Base-Base interactions energy: -114.619
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.146
local terms energy: -67.949171
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -101.998855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.998855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.998855 (E_RNA)
where:
Base-Base interactions energy: -46.318
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.968
local terms energy: -54.713245
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -106.340884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.340884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.340884 (E_RNA)
where:
Base-Base interactions energy: -44.266
where: short stacking energy: -42.986
Base-Backbone interact. energy: -0.034
local terms energy: -62.041368
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -85.647627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.647627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.647627 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -27.453
Base-Backbone interact. energy: -0.162
local terms energy: -54.073471
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -89.202024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.202024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.202024 (E_RNA)
where:
Base-Base interactions energy: -41.842
where: short stacking energy: -29.884
Base-Backbone interact. energy: 0.136
local terms energy: -47.495297
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -256.642189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.642189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.642189 (E_RNA)
where:
Base-Base interactions energy: -174.287
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.348
local terms energy: -82.007302
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -219.262333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.262333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.262333 (E_RNA)
where:
Base-Base interactions energy: -137.012
where: short stacking energy: -76.075
Base-Backbone interact. energy: -0.338
local terms energy: -81.912748
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -209.785339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.785339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.785339 (E_RNA)
where:
Base-Base interactions energy: -135.329
where: short stacking energy: -71.331
Base-Backbone interact. energy: -0.576
local terms energy: -73.880513
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -207.242456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.242456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.242456 (E_RNA)
where:
Base-Base interactions energy: -131.895
where: short stacking energy: -64.912
Base-Backbone interact. energy: -0.465
local terms energy: -74.882607
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -176.840534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.840534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.840534 (E_RNA)
where:
Base-Base interactions energy: -105.971
where: short stacking energy: -61.633
Base-Backbone interact. energy: -0.046
local terms energy: -70.823416
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -180.349999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.349999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.349999 (E_RNA)
where:
Base-Base interactions energy: -110.567
where: short stacking energy: -54.576
Base-Backbone interact. energy: -0.139
local terms energy: -69.644529
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -16.696
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: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -93.405817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.405817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.405817 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.807
local terms energy: -51.360082
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.290
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: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -87.571842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.571842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.571842 (E_RNA)
where:
Base-Base interactions energy: -28.283
where: short stacking energy: -27.299
Base-Backbone interact. energy: -0.235
local terms energy: -59.054689
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -122.061556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.061556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.061556 (E_RNA)
where:
Base-Base interactions energy: -72.531
where: short stacking energy: -31.159
Base-Backbone interact. energy: 1.164
local terms energy: -50.693874
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -89.238436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.238436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.238436 (E_RNA)
where:
Base-Base interactions energy: -27.032
where: short stacking energy: -26.765
Base-Backbone interact. energy: -0.057
local terms energy: -62.148863
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -248.520012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.520012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.520012 (E_RNA)
where:
Base-Base interactions energy: -173.976
where: short stacking energy: -70.692
Base-Backbone interact. energy: -0.278
local terms energy: -74.265638
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -11.910
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: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -211.150107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.150107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.150107 (E_RNA)
where:
Base-Base interactions energy: -132.290
where: short stacking energy: -71.384
Base-Backbone interact. energy: -0.669
local terms energy: -78.190769
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -219.478197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.478197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.478197 (E_RNA)
where:
Base-Base interactions energy: -146.143
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.569
local terms energy: -72.766011
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -198.875387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.875387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.875387 (E_RNA)
where:
Base-Base interactions energy: -126.039
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.140
local terms energy: -72.696259
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -197.399852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.399852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.399852 (E_RNA)
where:
Base-Base interactions energy: -121.382
where: short stacking energy: -63.558
Base-Backbone interact. energy: 0.392
local terms energy: -76.410538
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -175.902044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.902044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.902044 (E_RNA)
where:
Base-Base interactions energy: -98.635
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.179
local terms energy: -77.087784
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -95.734121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.734121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.734121 (E_RNA)
where:
Base-Base interactions energy: -43.373
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.146
local terms energy: -52.214981
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -13.877
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: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -102.265734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.265734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.265734 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -32.572
Base-Backbone interact. energy: 1.054
local terms energy: -63.198490
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -90.984976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.984976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.984976 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.521
local terms energy: -54.840356
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -5.435
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: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -89.612110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.612110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.612110 (E_RNA)
where:
Base-Base interactions energy: -34.281
where: short stacking energy: -29.842
Base-Backbone interact. energy: -0.238
local terms energy: -55.092399
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -6.407
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: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -250.757149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.757149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.757149 (E_RNA)
where:
Base-Base interactions energy: -173.401
where: short stacking energy: -68.437
Base-Backbone interact. energy: -1.049
local terms energy: -76.307379
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -222.475313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.475313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.475313 (E_RNA)
where:
Base-Base interactions energy: -141.772
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.539
local terms energy: -80.164294
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -208.953548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.953548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.953548 (E_RNA)
where:
Base-Base interactions energy: -125.544
where: short stacking energy: -67.630
Base-Backbone interact. energy: -0.074
local terms energy: -83.335801
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -200.259698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.259698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.259698 (E_RNA)
where:
Base-Base interactions energy: -122.959
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.005
local terms energy: -77.296110
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -167.517207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.517207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.517207 (E_RNA)
where:
Base-Base interactions energy: -104.766
where: short stacking energy: -44.233
Base-Backbone interact. energy: -0.231
local terms energy: -62.520413
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -179.965427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.965427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.965427 (E_RNA)
where:
Base-Base interactions energy: -112.730
where: short stacking energy: -51.530
Base-Backbone interact. energy: -0.338
local terms energy: -66.898288
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -96.785660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.785660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.785660 (E_RNA)
where:
Base-Base interactions energy: -46.212
where: short stacking energy: -43.678
Base-Backbone interact. energy: -0.031
local terms energy: -50.542796
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -100.357619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.357619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.357619 (E_RNA)
where:
Base-Base interactions energy: -31.166
where: short stacking energy: -31.166
Base-Backbone interact. energy: 1.281
local terms energy: -70.472539
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -94.250135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.250135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.250135 (E_RNA)
where:
Base-Base interactions energy: -27.766
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.096
local terms energy: -66.387756
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -81.240284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.240284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.240284 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.032
local terms energy: -43.563019
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -253.178082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.178082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.178082 (E_RNA)
where:
Base-Base interactions energy: -172.764
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.335
local terms energy: -80.079217
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -203.981621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.981621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981621 (E_RNA)
where:
Base-Base interactions energy: -125.875
where: short stacking energy: -73.082
Base-Backbone interact. energy: -0.432
local terms energy: -77.674695
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -220.133804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.133804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.133804 (E_RNA)
where:
Base-Base interactions energy: -133.712
where: short stacking energy: -76.845
Base-Backbone interact. energy: -0.080
local terms energy: -86.342421
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -184.108352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.108352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108352 (E_RNA)
where:
Base-Base interactions energy: -111.210
where: short stacking energy: -63.187
Base-Backbone interact. energy: 0.304
local terms energy: -73.202236
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -180.194614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.194614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.194614 (E_RNA)
where:
Base-Base interactions energy: -109.603
where: short stacking energy: -55.440
Base-Backbone interact. energy: 0.677
local terms energy: -71.268653
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -13.192
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: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -183.224268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.224268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.224268 (E_RNA)
where:
Base-Base interactions energy: -116.006
where: short stacking energy: -45.645
Base-Backbone interact. energy: -0.084
local terms energy: -67.134489
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -103.779437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.779437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.779437 (E_RNA)
where:
Base-Base interactions energy: -50.306
where: short stacking energy: -34.922
Base-Backbone interact. energy: -0.158
local terms energy: -53.315498
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -5.704
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: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -95.543130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.543130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.543130 (E_RNA)
where:
Base-Base interactions energy: -41.402
where: short stacking energy: -41.402
Base-Backbone interact. energy: -0.114
local terms energy: -54.027395
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -7.579
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: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -95.562839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.562839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.562839 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -35.230
Base-Backbone interact. energy: -0.240
local terms energy: -54.742450
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -84.343408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.343408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.343408 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.167
local terms energy: -56.409173
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -252.456578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.456578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.456578 (E_RNA)
where:
Base-Base interactions energy: -180.132
where: short stacking energy: -74.678
Base-Backbone interact. energy: -0.309
local terms energy: -72.014895
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -16.888
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -231.216425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.216425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.216425 (E_RNA)
where:
Base-Base interactions energy: -151.158
where: short stacking energy: -64.731
Base-Backbone interact. energy: -0.125
local terms energy: -79.933305
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -214.149519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.149519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149519 (E_RNA)
where:
Base-Base interactions energy: -136.657
where: short stacking energy: -74.518
Base-Backbone interact. energy: -0.007
local terms energy: -77.485003
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -175.489471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.489471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.489471 (E_RNA)
where:
Base-Base interactions energy: -107.438
where: short stacking energy: -51.535
Base-Backbone interact. energy: -0.933
local terms energy: -67.118462
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -185.273336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.273336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.273336 (E_RNA)
where:
Base-Base interactions energy: -115.891
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.010
local terms energy: -69.372377
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -196.358833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.358833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.358833 (E_RNA)
where:
Base-Base interactions energy: -119.818
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.081
local terms energy: -76.459568
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -8.223
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: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -94.762530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.762530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.762530 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.151
local terms energy: -53.410048
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -6.751
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: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -101.861147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.861147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.861147 (E_RNA)
where:
Base-Base interactions energy: -49.985
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.220
local terms energy: -51.656846
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -79.729676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729676 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -24.066
Base-Backbone interact. energy: -0.046
local terms energy: -52.062394
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -79.363482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.363482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.363482 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -19.852
Base-Backbone interact. energy: 2.985
local terms energy: -48.687460
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -248.950178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.950178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.950178 (E_RNA)
where:
Base-Base interactions energy: -179.370
where: short stacking energy: -72.846
Base-Backbone interact. energy: 0.080
local terms energy: -69.659532
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -225.479000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.479000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.479000 (E_RNA)
where:
Base-Base interactions energy: -148.387
where: short stacking energy: -56.638
Base-Backbone interact. energy: -0.364
local terms energy: -76.728566
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -204.499163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.499163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.499163 (E_RNA)
where:
Base-Base interactions energy: -138.826
where: short stacking energy: -62.578
Base-Backbone interact. energy: 0.151
local terms energy: -65.824431
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -187.905090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.905090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.905090 (E_RNA)
where:
Base-Base interactions energy: -123.343
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.124
local terms energy: -64.437824
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -8.200
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: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -185.965090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.965090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.965090 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.138
local terms energy: -67.034978
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.038
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: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -183.159691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.159691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.159691 (E_RNA)
where:
Base-Base interactions energy: -125.317
where: short stacking energy: -48.891
Base-Backbone interact. energy: -0.421
local terms energy: -57.421786
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -90.620495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.620495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.620495 (E_RNA)
where:
Base-Base interactions energy: -39.244
where: short stacking energy: -36.951
Base-Backbone interact. energy: -0.340
local terms energy: -51.036303
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -92.430987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.430987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.430987 (E_RNA)
where:
Base-Base interactions energy: -35.491
where: short stacking energy: -33.077
Base-Backbone interact. energy: -0.336
local terms energy: -56.604246
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -93.346915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.346915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.346915 (E_RNA)
where:
Base-Base interactions energy: -37.158
where: short stacking energy: -31.625
Base-Backbone interact. energy: -0.478
local terms energy: -55.711686
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -88.124474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.124474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.124474 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -33.111
Base-Backbone interact. energy: -0.438
local terms energy: -52.274527
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -237.884193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.884193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.884193 (E_RNA)
where:
Base-Base interactions energy: -164.551
where: short stacking energy: -68.989
Base-Backbone interact. energy: -0.657
local terms energy: -72.675591
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -210.989203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.989203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.989203 (E_RNA)
where:
Base-Base interactions energy: -138.661
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.052
local terms energy: -72.276793
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -204.278788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.278788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.278788 (E_RNA)
where:
Base-Base interactions energy: -133.653
where: short stacking energy: -61.527
Base-Backbone interact. energy: -0.094
local terms energy: -70.531449
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -179.289302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.289302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.289302 (E_RNA)
where:
Base-Base interactions energy: -108.228
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.319
local terms energy: -70.742429
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.926
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: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -193.821678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.821678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.821678 (E_RNA)
where:
Base-Base interactions energy: -119.312
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.175
local terms energy: -74.334005
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -177.412901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.412901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.412901 (E_RNA)
where:
Base-Base interactions energy: -117.259
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.882
local terms energy: -59.272394
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -2.989
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -116.489242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.489242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.489242 (E_RNA)
where:
Base-Base interactions energy: -55.293
where: short stacking energy: -36.477
Base-Backbone interact. energy: -0.355
local terms energy: -60.841235
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -81.839505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.839505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.839505 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -26.128
Base-Backbone interact. energy: -0.053
local terms energy: -54.955364
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -3.564
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: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -90.415176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415176 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -26.874
Base-Backbone interact. energy: -0.167
local terms energy: -58.291467
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -74.169949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.169949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.169949 (E_RNA)
where:
Base-Base interactions energy: -21.391
where: short stacking energy: -21.391
Base-Backbone interact. energy: 0.524
local terms energy: -53.302903
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: 6.244
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: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -240.132430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.132430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.132430 (E_RNA)
where:
Base-Base interactions energy: -166.662
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.907
local terms energy: -72.563776
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -221.895690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.895690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.895690 (E_RNA)
where:
Base-Base interactions energy: -138.513
where: short stacking energy: -64.176
Base-Backbone interact. energy: -0.048
local terms energy: -83.334249
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -213.591039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.591039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.591039 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -81.130
Base-Backbone interact. energy: -0.007
local terms energy: -73.904366
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -181.384188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.384188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.384188 (E_RNA)
where:
Base-Base interactions energy: -116.554
where: short stacking energy: -56.436
Base-Backbone interact. energy: 1.623
local terms energy: -66.452834
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -190.709744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.709744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.709744 (E_RNA)
where:
Base-Base interactions energy: -121.954
where: short stacking energy: -60.996
Base-Backbone interact. energy: -0.049
local terms energy: -68.706328
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -110.199853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.199853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.199853 (E_RNA)
where:
Base-Base interactions energy: -48.385
where: short stacking energy: -44.528
Base-Backbone interact. energy: -0.079
local terms energy: -61.735639
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -7.901
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: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -175.071830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.071830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.071830 (E_RNA)
where:
Base-Base interactions energy: -106.243
where: short stacking energy: -50.848
Base-Backbone interact. energy: -0.381
local terms energy: -68.447441
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -99.296378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.296378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.296378 (E_RNA)
where:
Base-Base interactions energy: -36.265
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.134
local terms energy: -62.897508
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -10.357
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: 95
Temperature: 1.300000
Total energy: -110.290046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.290046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.290046 (E_RNA)
where:
Base-Base interactions energy: -40.450
where: short stacking energy: -40.450
Base-Backbone interact. energy: -0.049
local terms energy: -69.790860
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -81.045323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.045323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.045323 (E_RNA)
where:
Base-Base interactions energy: -34.607
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.378
local terms energy: -46.060011
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -223.473356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.473356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.473356 (E_RNA)
where:
Base-Base interactions energy: -152.637
where: short stacking energy: -62.387
Base-Backbone interact. energy: -0.165
local terms energy: -70.670649
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -244.731853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.731853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.731853 (E_RNA)
where:
Base-Base interactions energy: -173.597
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.281
local terms energy: -70.854125
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -8.825
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -222.885111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.885111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.885111 (E_RNA)
where:
Base-Base interactions energy: -143.223
where: short stacking energy: -80.536
Base-Backbone interact. energy: -0.001
local terms energy: -79.660886
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -185.136894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.136894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.136894 (E_RNA)
where:
Base-Base interactions energy: -112.348
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.300
local terms energy: -72.488412
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.674
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: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -186.566041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.566041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.566041 (E_RNA)
where:
Base-Base interactions energy: -113.239
where: short stacking energy: -50.724
Base-Backbone interact. energy: 0.914
local terms energy: -74.240531
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -13.868
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: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -108.134331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.134331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.134331 (E_RNA)
where:
Base-Base interactions energy: -42.398
where: short stacking energy: -42.398
Base-Backbone interact. energy: -0.164
local terms energy: -65.572884
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -168.493000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.493000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.493000 (E_RNA)
where:
Base-Base interactions energy: -105.229
where: short stacking energy: -53.617
Base-Backbone interact. energy: -0.133
local terms energy: -63.130933
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -78.510464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.510464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.510464 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -26.395
Base-Backbone interact. energy: -0.213
local terms energy: -41.005173
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -86.776896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.776896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.776896 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -33.261
Base-Backbone interact. energy: -0.038
local terms energy: -53.325570
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -100.051808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.051808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.051808 (E_RNA)
where:
Base-Base interactions energy: -43.088
where: short stacking energy: -36.087
Base-Backbone interact. energy: 1.609
local terms energy: -58.573128
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.849
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: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -227.213242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.213242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.213242 (E_RNA)
where:
Base-Base interactions energy: -148.032
where: short stacking energy: -63.547
Base-Backbone interact. energy: 0.382
local terms energy: -79.563180
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -217.432705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.432705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.432705 (E_RNA)
where:
Base-Base interactions energy: -131.449
where: short stacking energy: -67.720
Base-Backbone interact. energy: -0.003
local terms energy: -85.980998
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -20.900
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: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -242.486313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.486313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.486313 (E_RNA)
where:
Base-Base interactions energy: -168.401
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.555
local terms energy: -73.530987
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -189.540778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.540778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.540778 (E_RNA)
where:
Base-Base interactions energy: -121.809
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.070
local terms energy: -67.661280
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -9.316
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -186.459618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.459618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.459618 (E_RNA)
where:
Base-Base interactions energy: -110.553
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.111
local terms energy: -75.795233
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -206.145309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.145309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.145309 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.332
local terms energy: -69.647813
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.044
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: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -99.595976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.595976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.595976 (E_RNA)
where:
Base-Base interactions energy: -46.956
where: short stacking energy: -45.224
Base-Backbone interact. energy: 0.427
local terms energy: -53.066790
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -8.099
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -82.741493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.741493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.741493 (E_RNA)
where:
Base-Base interactions energy: -30.733
where: short stacking energy: -21.483
Base-Backbone interact. energy: -0.385
local terms energy: -51.624382
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -0.210
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: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -83.295868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.295868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.295868 (E_RNA)
where:
Base-Base interactions energy: -37.129
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.208
local terms energy: -45.958366
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -87.997242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.997242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.997242 (E_RNA)
where:
Base-Base interactions energy: -43.897
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.062
local terms energy: -44.038091
where:
bonds (distance) C4'-P energy: -8.101
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: 1.932
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: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -223.316756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.316756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.316756 (E_RNA)
where:
Base-Base interactions energy: -136.600
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.041
local terms energy: -86.675267
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -21.318
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: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -213.397236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.397236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.397236 (E_RNA)
where:
Base-Base interactions energy: -135.757
where: short stacking energy: -68.709
Base-Backbone interact. energy: -0.031
local terms energy: -77.608726
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -8.254
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: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -239.654905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.654905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.654905 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -60.266
Base-Backbone interact. energy: -0.222
local terms energy: -70.228499
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -185.808330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.808330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.808330 (E_RNA)
where:
Base-Base interactions energy: -114.301
where: short stacking energy: -62.826
Base-Backbone interact. energy: -0.307
local terms energy: -71.199972
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -220.962258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.962258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.962258 (E_RNA)
where:
Base-Base interactions energy: -148.919
where: short stacking energy: -61.502
Base-Backbone interact. energy: -0.818
local terms energy: -71.225997
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -186.829167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.829167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.829167 (E_RNA)
where:
Base-Base interactions energy: -123.280
where: short stacking energy: -64.398
Base-Backbone interact. energy: -0.318
local terms energy: -63.231909
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -96.997971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.997971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.997971 (E_RNA)
where:
Base-Base interactions energy: -39.496
where: short stacking energy: -27.505
Base-Backbone interact. energy: -0.272
local terms energy: -57.230409
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -88.692078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.692078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.692078 (E_RNA)
where:
Base-Base interactions energy: -35.289
where: short stacking energy: -30.080
Base-Backbone interact. energy: -0.136
local terms energy: -53.267126
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -2.255
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -81.982960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982960 (E_RNA)
where:
Base-Base interactions energy: -27.244
where: short stacking energy: -26.730
Base-Backbone interact. energy: -0.032
local terms energy: -54.707524
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -89.876304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.876304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.876304 (E_RNA)
where:
Base-Base interactions energy: -46.593
where: short stacking energy: -25.658
Base-Backbone interact. energy: -0.057
local terms energy: -43.227074
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: 4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -239.473357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.473357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.473357 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -80.517
Base-Backbone interact. energy: -0.124
local terms energy: -95.037707
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -25.616
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -238.658135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.658135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.658135 (E_RNA)
where:
Base-Base interactions energy: -163.321
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.112
local terms energy: -75.225094
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -206.027018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.027018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.027018 (E_RNA)
where:
Base-Base interactions energy: -121.769
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.167
local terms energy: -84.090703
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -22.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -249.544225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.544225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.544225 (E_RNA)
where:
Base-Base interactions energy: -175.133
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.416
local terms energy: -73.995811
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -189.876747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.876747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.876747 (E_RNA)
where:
Base-Base interactions energy: -117.746
where: short stacking energy: -68.203
Base-Backbone interact. energy: -0.099
local terms energy: -72.031810
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -195.515350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.515350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.515350 (E_RNA)
where:
Base-Base interactions energy: -121.552
where: short stacking energy: -60.334
Base-Backbone interact. energy: 0.389
local terms energy: -74.352113
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -108.765298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.765298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.765298 (E_RNA)
where:
Base-Base interactions energy: -52.155
where: short stacking energy: -32.632
Base-Backbone interact. energy: -0.759
local terms energy: -55.851612
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -86.570800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.570800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.570800 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -35.948
Base-Backbone interact. energy: 2.203
local terms energy: -51.210838
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -81.202353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.202353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.202353 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -25.501
Base-Backbone interact. energy: 0.349
local terms energy: -50.297044
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -3.065
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: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -84.740507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.740507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.740507 (E_RNA)
where:
Base-Base interactions energy: -33.694
where: short stacking energy: -33.694
Base-Backbone interact. energy: -0.070
local terms energy: -50.976640
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -7.077
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: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -243.045957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.045957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.045957 (E_RNA)
where:
Base-Base interactions energy: -166.456
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.120
local terms energy: -76.469954
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -222.853792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.853792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.853792 (E_RNA)
where:
Base-Base interactions energy: -139.816
where: short stacking energy: -79.712
Base-Backbone interact. energy: -0.072
local terms energy: -82.965831
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -243.645024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.645024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.645024 (E_RNA)
where:
Base-Base interactions energy: -165.465
where: short stacking energy: -67.578
Base-Backbone interact. energy: 1.850
local terms energy: -80.030038
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -12.699
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: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -208.402248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.402248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.402248 (E_RNA)
where:
Base-Base interactions energy: -126.459
where: short stacking energy: -62.044
Base-Backbone interact. energy: -0.341
local terms energy: -81.603079
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -194.978373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.978373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.978373 (E_RNA)
where:
Base-Base interactions energy: -116.297
where: short stacking energy: -59.712
Base-Backbone interact. energy: 1.350
local terms energy: -80.032233
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -171.032042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.032042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.032042 (E_RNA)
where:
Base-Base interactions energy: -106.422
where: short stacking energy: -53.583
Base-Backbone interact. energy: -0.144
local terms energy: -64.466208
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -108.302717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.302717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.302717 (E_RNA)
where:
Base-Base interactions energy: -56.167
where: short stacking energy: -41.066
Base-Backbone interact. energy: 0.159
local terms energy: -52.295034
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -92.546049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.546049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.546049 (E_RNA)
where:
Base-Base interactions energy: -39.711
where: short stacking energy: -25.673
Base-Backbone interact. energy: -0.188
local terms energy: -52.647222
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -103.073528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.073528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.073528 (E_RNA)
where:
Base-Base interactions energy: -36.561
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.141
local terms energy: -66.371473
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -103.711771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.711771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.711771 (E_RNA)
where:
Base-Base interactions energy: -48.749
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.319
local terms energy: -54.643216
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -240.684775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.684775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.684775 (E_RNA)
where:
Base-Base interactions energy: -162.184
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.840
local terms energy: -77.660952
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -248.997070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.997070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.997070 (E_RNA)
where:
Base-Base interactions energy: -167.432
where: short stacking energy: -70.896
Base-Backbone interact. energy: -0.119
local terms energy: -81.445543
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -212.566614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.566614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.566614 (E_RNA)
where:
Base-Base interactions energy: -130.036
where: short stacking energy: -79.776
Base-Backbone interact. energy: -0.237
local terms energy: -82.293498
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -23.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -200.915321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.915321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.915321 (E_RNA)
where:
Base-Base interactions energy: -122.869
where: short stacking energy: -48.299
Base-Backbone interact. energy: -0.229
local terms energy: -77.818167
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -21.295
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: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -186.494938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.494938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.494938 (E_RNA)
where:
Base-Base interactions energy: -117.011
where: short stacking energy: -48.560
Base-Backbone interact. energy: -0.156
local terms energy: -69.327762
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -161.386371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.386371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.386371 (E_RNA)
where:
Base-Base interactions energy: -98.246
where: short stacking energy: -41.193
Base-Backbone interact. energy: 0.221
local terms energy: -63.360697
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -10.801
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: 101
Temperature: 1.200000
Total energy: -98.279347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.279347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.279347 (E_RNA)
where:
Base-Base interactions energy: -38.379
where: short stacking energy: -33.115
Base-Backbone interact. energy: -1.323
local terms energy: -58.577448
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -97.252044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.252044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.252044 (E_RNA)
where:
Base-Base interactions energy: -40.112
where: short stacking energy: -31.406
Base-Backbone interact. energy: -0.131
local terms energy: -57.008495
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -109.786946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.786946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.786946 (E_RNA)
where:
Base-Base interactions energy: -47.807
where: short stacking energy: -46.077
Base-Backbone interact. energy: -1.250
local terms energy: -60.729646
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -10.125
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: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -75.395326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.395326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.395326 (E_RNA)
where:
Base-Base interactions energy: -25.543
where: short stacking energy: -25.108
Base-Backbone interact. energy: -1.527
local terms energy: -48.324553
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -253.914914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.914914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.914914 (E_RNA)
where:
Base-Base interactions energy: -181.720
where: short stacking energy: -75.299
Base-Backbone interact. energy: 0.565
local terms energy: -72.760501
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -251.836884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.836884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.836884 (E_RNA)
where:
Base-Base interactions energy: -169.578
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.848
local terms energy: -81.410563
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -200.754533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.754533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.754533 (E_RNA)
where:
Base-Base interactions energy: -122.431
where: short stacking energy: -60.316
Base-Backbone interact. energy: 1.125
local terms energy: -79.448363
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -10.386
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: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -199.599536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.599536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.599536 (E_RNA)
where:
Base-Base interactions energy: -121.872
where: short stacking energy: -65.558
Base-Backbone interact. energy: -0.490
local terms energy: -77.237622
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -8.030
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: 102
Temperature: 1.100000
Total energy: -198.023178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.023178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.023178 (E_RNA)
where:
Base-Base interactions energy: -124.581
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.180
local terms energy: -73.261622
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -9.610
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: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -132.580847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.580847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.580847 (E_RNA)
where:
Base-Base interactions energy: -62.558
where: short stacking energy: -36.895
Base-Backbone interact. energy: 1.259
local terms energy: -71.281337
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -95.835942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.835942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.835942 (E_RNA)
where:
Base-Base interactions energy: -46.319
where: short stacking energy: -41.944
Base-Backbone interact. energy: 1.839
local terms energy: -51.355756
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -93.774500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.774500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.774500 (E_RNA)
where:
Base-Base interactions energy: -32.249
where: short stacking energy: -27.682
Base-Backbone interact. energy: 0.445
local terms energy: -61.970565
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -85.259878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259878 (E_RNA)
where:
Base-Base interactions energy: -31.382
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.414
local terms energy: -53.464472
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -84.575047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.575047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.575047 (E_RNA)
where:
Base-Base interactions energy: -30.932
where: short stacking energy: -30.932
Base-Backbone interact. energy: 0.117
local terms energy: -53.760385
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -258.649141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.649141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.649141 (E_RNA)
where:
Base-Base interactions energy: -179.565
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.112
local terms energy: -78.971719
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -12.013
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: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -254.060337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.060337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.060337 (E_RNA)
where:
Base-Base interactions energy: -175.698
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.241
local terms energy: -78.121943
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -8.491
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: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -202.380185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.380185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.380185 (E_RNA)
where:
Base-Base interactions energy: -125.095
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.093
local terms energy: -77.192090
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -203.695562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.695562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.695562 (E_RNA)
where:
Base-Base interactions energy: -136.826
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.029
local terms energy: -66.840777
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -201.975473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.975473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.975473 (E_RNA)
where:
Base-Base interactions energy: -125.284
where: short stacking energy: -65.842
Base-Backbone interact. energy: 2.910
local terms energy: -79.601410
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -138.190569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.190569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.190569 (E_RNA)
where:
Base-Base interactions energy: -82.256
where: short stacking energy: -31.554
Base-Backbone interact. energy: -1.688
local terms energy: -54.245901
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -98.700211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.700211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.700211 (E_RNA)
where:
Base-Base interactions energy: -40.249
where: short stacking energy: -32.443
Base-Backbone interact. energy: -0.330
local terms energy: -58.121644
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -97.218465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.218465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.218465 (E_RNA)
where:
Base-Base interactions energy: -41.220
where: short stacking energy: -19.408
Base-Backbone interact. energy: -0.205
local terms energy: -55.793224
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -89.677512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.677512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.677512 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -31.157
Base-Backbone interact. energy: -0.025
local terms energy: -54.322412
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -76.950703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.950703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.950703 (E_RNA)
where:
Base-Base interactions energy: -25.840
where: short stacking energy: -21.003
Base-Backbone interact. energy: 0.048
local terms energy: -51.158639
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.254
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: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -250.882918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.882918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.882918 (E_RNA)
where:
Base-Base interactions energy: -174.896
where: short stacking energy: -72.905
Base-Backbone interact. energy: -0.289
local terms energy: -75.697570
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -256.944742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.944742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.944742 (E_RNA)
where:
Base-Base interactions energy: -171.665
where: short stacking energy: -76.141
Base-Backbone interact. energy: -1.119
local terms energy: -84.160370
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -22.692
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: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -205.540667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.540667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.540667 (E_RNA)
where:
Base-Base interactions energy: -139.458
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.295
local terms energy: -65.787571
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -9.572
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: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -181.295334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.295334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.295334 (E_RNA)
where:
Base-Base interactions energy: -114.027
where: short stacking energy: -52.960
Base-Backbone interact. energy: -0.093
local terms energy: -67.174765
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -193.504863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.504863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.504863 (E_RNA)
where:
Base-Base interactions energy: -118.260
where: short stacking energy: -60.563
Base-Backbone interact. energy: -0.005
local terms energy: -75.239618
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -108.541850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.541850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.541850 (E_RNA)
where:
Base-Base interactions energy: -47.525
where: short stacking energy: -32.375
Base-Backbone interact. energy: -0.074
local terms energy: -60.942748
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -4.161
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: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -104.800535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.800535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.800535 (E_RNA)
where:
Base-Base interactions energy: -40.563
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.057
local terms energy: -64.180293
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -97.168146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.168146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.168146 (E_RNA)
where:
Base-Base interactions energy: -36.542
where: short stacking energy: -28.564
Base-Backbone interact. energy: -0.079
local terms energy: -60.547008
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -95.101619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101619 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -30.332
Base-Backbone interact. energy: -0.077
local terms energy: -63.892407
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -83.692467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.692467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.692467 (E_RNA)
where:
Base-Base interactions energy: -36.528
where: short stacking energy: -26.567
Base-Backbone interact. energy: 0.028
local terms energy: -47.192237
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: 3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -245.788670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.788670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.788670 (E_RNA)
where:
Base-Base interactions energy: -170.447
where: short stacking energy: -71.306
Base-Backbone interact. energy: -0.154
local terms energy: -75.188095
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -250.582507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.582507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.582507 (E_RNA)
where:
Base-Base interactions energy: -171.106
where: short stacking energy: -73.802
Base-Backbone interact. energy: -0.117
local terms energy: -79.359321
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -208.231142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.231142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.231142 (E_RNA)
where:
Base-Base interactions energy: -134.104
where: short stacking energy: -48.319
Base-Backbone interact. energy: -0.123
local terms energy: -74.004456
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.313
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: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -209.929939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.929939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.929939 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.838
local terms energy: -75.917116
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.560
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: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -197.389891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.389891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.389891 (E_RNA)
where:
Base-Base interactions energy: -120.649
where: short stacking energy: -54.452
Base-Backbone interact. energy: -0.087
local terms energy: -76.653829
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -97.577911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.577911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.577911 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.121
local terms energy: -54.064105
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -98.116210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.116210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.116210 (E_RNA)
where:
Base-Base interactions energy: -42.384
where: short stacking energy: -27.685
Base-Backbone interact. energy: -0.119
local terms energy: -55.612537
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -94.905925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.905925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.905925 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.652
local terms energy: -61.454159
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.588
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: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -83.125915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125915 (E_RNA)
where:
Base-Base interactions energy: -32.019
where: short stacking energy: -26.321
Base-Backbone interact. energy: 1.304
local terms energy: -52.411098
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: 4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -87.321652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.321652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.321652 (E_RNA)
where:
Base-Base interactions energy: -29.858
where: short stacking energy: -27.483
Base-Backbone interact. energy: -0.101
local terms energy: -57.362404
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -249.517280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.517280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.517280 (E_RNA)
where:
Base-Base interactions energy: -174.249
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.245
local terms energy: -75.022877
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -12.118
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: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -255.148531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.148531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.148531 (E_RNA)
where:
Base-Base interactions energy: -174.316
where: short stacking energy: -77.734
Base-Backbone interact. energy: -0.949
local terms energy: -79.883988
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -10.218
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: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -212.038014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.038014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.038014 (E_RNA)
where:
Base-Base interactions energy: -136.574
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.029
local terms energy: -75.435680
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -13.781
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: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -193.055525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.055525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.055525 (E_RNA)
where:
Base-Base interactions energy: -125.711
where: short stacking energy: -72.933
Base-Backbone interact. energy: 0.098
local terms energy: -67.442459
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -180.595130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.595130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.595130 (E_RNA)
where:
Base-Base interactions energy: -116.146
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.008
local terms energy: -64.441019
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -102.492110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.492110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.492110 (E_RNA)
where:
Base-Base interactions energy: -38.338
where: short stacking energy: -38.148
Base-Backbone interact. energy: -0.100
local terms energy: -64.054294
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -7.998
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: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -102.360549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.360549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.360549 (E_RNA)
where:
Base-Base interactions energy: -40.800
where: short stacking energy: -37.099
Base-Backbone interact. energy: -0.125
local terms energy: -61.435186
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -93.163182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.163182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.163182 (E_RNA)
where:
Base-Base interactions energy: -39.365
where: short stacking energy: -32.928
Base-Backbone interact. energy: -0.760
local terms energy: -53.038319
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -88.886385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.886385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.886385 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -33.402
Base-Backbone interact. energy: 0.432
local terms energy: -55.309679
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -83.412509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.412509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.412509 (E_RNA)
where:
Base-Base interactions energy: -32.460
where: short stacking energy: -24.568
Base-Backbone interact. energy: -0.046
local terms energy: -50.906437
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -255.514428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.514428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.514428 (E_RNA)
where:
Base-Base interactions energy: -180.634
where: short stacking energy: -71.930
Base-Backbone interact. energy: -0.321
local terms energy: -74.558930
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -253.538467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.538467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.538467 (E_RNA)
where:
Base-Base interactions energy: -172.458
where: short stacking energy: -66.805
Base-Backbone interact. energy: -0.273
local terms energy: -80.808002
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -201.676302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.676302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.676302 (E_RNA)
where:
Base-Base interactions energy: -127.967
where: short stacking energy: -54.222
Base-Backbone interact. energy: 0.527
local terms energy: -74.235607
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -10.160
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: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -202.906022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.906022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.906022 (E_RNA)
where:
Base-Base interactions energy: -123.323
where: short stacking energy: -62.655
Base-Backbone interact. energy: -1.330
local terms energy: -78.253409
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -181.456679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.456679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.456679 (E_RNA)
where:
Base-Base interactions energy: -113.893
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.866
local terms energy: -66.697313
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -6.035
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -14.691
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: 107
Temperature: 1.150000
Total energy: -102.774001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.774001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.774001 (E_RNA)
where:
Base-Base interactions energy: -44.258
where: short stacking energy: -44.258
Base-Backbone interact. energy: -0.020
local terms energy: -58.495415
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -101.317026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.317026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.317026 (E_RNA)
where:
Base-Base interactions energy: -43.684
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.184
local terms energy: -57.448784
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -3.733
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: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -99.586788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.586788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.586788 (E_RNA)
where:
Base-Base interactions energy: -49.142
where: short stacking energy: -37.890
Base-Backbone interact. energy: -0.103
local terms energy: -50.341717
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -4.298
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: 9, replica: 2
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -108.731677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.731677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.731677 (E_RNA)
where:
Base-Base interactions energy: -45.389
where: short stacking energy: -25.105
Base-Backbone interact. energy: -1.824
local terms energy: -61.518523
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -82.930748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.930748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.930748 (E_RNA)
where:
Base-Base interactions energy: -27.519
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.131
local terms energy: -55.281396
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -2.411
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: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -254.363332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.363332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.363332 (E_RNA)
where:
Base-Base interactions energy: -179.052
where: short stacking energy: -72.676
Base-Backbone interact. energy: 1.236
local terms energy: -76.547225
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -247.501296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.501296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.501296 (E_RNA)
where:
Base-Base interactions energy: -172.944
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.202
local terms energy: -74.355181
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -209.113340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.113340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.113340 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -66.209
Base-Backbone interact. energy: -0.051
local terms energy: -74.750676
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -212.306364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.306364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.306364 (E_RNA)
where:
Base-Base interactions energy: -132.701
where: short stacking energy: -64.543
Base-Backbone interact. energy: -0.724
local terms energy: -78.881576
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -176.295280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.295280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.295280 (E_RNA)
where:
Base-Base interactions energy: -114.758
where: short stacking energy: -52.309
Base-Backbone interact. energy: -0.182
local terms energy: -61.355564
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -110.383860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.383860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.383860 (E_RNA)
where:
Base-Base interactions energy: -51.856
where: short stacking energy: -32.647
Base-Backbone interact. energy: -0.119
local terms energy: -58.409061
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -99.174355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.174355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.174355 (E_RNA)
where:
Base-Base interactions energy: -43.165
where: short stacking energy: -27.778
Base-Backbone interact. energy: -0.756
local terms energy: -55.253433
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -98.572571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.572571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.572571 (E_RNA)
where:
Base-Base interactions energy: -35.557
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.662
local terms energy: -62.352953
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -88.583914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.583914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.583914 (E_RNA)
where:
Base-Base interactions energy: -32.703
where: short stacking energy: -28.300
Base-Backbone interact. energy: 1.858
local terms energy: -57.739070
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -74.604671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.604671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.604671 (E_RNA)
where:
Base-Base interactions energy: -23.386
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.138
local terms energy: -51.080432
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -7.335
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: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -256.660771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.660771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.660771 (E_RNA)
where:
Base-Base interactions energy: -183.205
where: short stacking energy: -76.575
Base-Backbone interact. energy: -0.626
local terms energy: -72.829816
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -247.380211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.380211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.380211 (E_RNA)
where:
Base-Base interactions energy: -166.932
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.169
local terms energy: -80.278875
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -13.228
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: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -208.502305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.502305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.502305 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.162
local terms energy: -73.801988
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -194.548161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.548161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.548161 (E_RNA)
where:
Base-Base interactions energy: -122.137
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.135
local terms energy: -72.276430
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -12.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -200.706831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.706831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.706831 (E_RNA)
where:
Base-Base interactions energy: -128.810
where: short stacking energy: -67.402
Base-Backbone interact. energy: -0.191
local terms energy: -71.706113
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -122.639199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.639199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.639199 (E_RNA)
where:
Base-Base interactions energy: -56.833
where: short stacking energy: -40.876
Base-Backbone interact. energy: -0.988
local terms energy: -64.818400
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -88.025256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.025256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.025256 (E_RNA)
where:
Base-Base interactions energy: -27.874
where: short stacking energy: -25.085
Base-Backbone interact. energy: 2.326
local terms energy: -62.477335
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -136.693637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.693637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.693637 (E_RNA)
where:
Base-Base interactions energy: -77.187
where: short stacking energy: -44.754
Base-Backbone interact. energy: -0.306
local terms energy: -59.200606
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -99.266778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.266778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.266778 (E_RNA)
where:
Base-Base interactions energy: -49.193
where: short stacking energy: -17.821
Base-Backbone interact. energy: -0.806
local terms energy: -49.267278
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: 1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -86.585729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.585729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.585729 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.205
local terms energy: -54.322994
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -2.638
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -260.152042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.152042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.152042 (E_RNA)
where:
Base-Base interactions energy: -186.903
where: short stacking energy: -81.434
Base-Backbone interact. energy: 0.037
local terms energy: -73.286184
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -246.456878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.456878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.456878 (E_RNA)
where:
Base-Base interactions energy: -172.756
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.630
local terms energy: -73.070484
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -7.814
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: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -201.069546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.069546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.069546 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.757
local terms energy: -79.507668
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -211.080933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.080933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.080933 (E_RNA)
where:
Base-Base interactions energy: -140.242
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.685
local terms energy: -70.153859
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -193.362274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.362274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.362274 (E_RNA)
where:
Base-Base interactions energy: -121.930
where: short stacking energy: -59.175
Base-Backbone interact. energy: -0.538
local terms energy: -70.894705
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -121.405155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.405155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.405155 (E_RNA)
where:
Base-Base interactions energy: -53.074
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.211
local terms energy: -68.121094
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -159.048176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.048176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.048176 (E_RNA)
where:
Base-Base interactions energy: -94.381
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.088
local terms energy: -64.579068
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -8.809
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: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -102.467352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.467352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.467352 (E_RNA)
where:
Base-Base interactions energy: -53.752
where: short stacking energy: -26.081
Base-Backbone interact. energy: -0.883
local terms energy: -47.832491
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -85.865736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.865736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.865736 (E_RNA)
where:
Base-Base interactions energy: -28.632
where: short stacking energy: -28.632
Base-Backbone interact. energy: -0.230
local terms energy: -57.004440
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -81.088614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.088614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.088614 (E_RNA)
where:
Base-Base interactions energy: -30.842
where: short stacking energy: -14.747
Base-Backbone interact. energy: -0.248
local terms energy: -49.999109
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: 2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -256.514051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.514051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.514051 (E_RNA)
where:
Base-Base interactions energy: -173.181
where: short stacking energy: -70.169
Base-Backbone interact. energy: -0.134
local terms energy: -83.199853
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -12.492
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: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -236.097106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.097106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.097106 (E_RNA)
where:
Base-Base interactions energy: -167.513
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.912
local terms energy: -67.672458
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.804
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: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -188.819105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.819105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.819105 (E_RNA)
where:
Base-Base interactions energy: -112.625
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.026
local terms energy: -76.168194
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -17.174
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: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -199.592844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.592844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.592844 (E_RNA)
where:
Base-Base interactions energy: -129.094
where: short stacking energy: -59.046
Base-Backbone interact. energy: 0.124
local terms energy: -70.622884
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -205.063095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.063095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.063095 (E_RNA)
where:
Base-Base interactions energy: -137.643
where: short stacking energy: -66.593
Base-Backbone interact. energy: 1.096
local terms energy: -68.515628
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -16.634
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: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -155.180772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.180772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.180772 (E_RNA)
where:
Base-Base interactions energy: -98.168
where: short stacking energy: -54.356
Base-Backbone interact. energy: -0.436
local terms energy: -56.576717
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -8.190
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: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -111.280301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.280301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.280301 (E_RNA)
where:
Base-Base interactions energy: -55.763
where: short stacking energy: -44.064
Base-Backbone interact. energy: -0.011
local terms energy: -55.506145
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -8.210
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -88.274227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.274227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.274227 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -31.659
Base-Backbone interact. energy: -0.386
local terms energy: -52.062079
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -4.688
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -94.281683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.281683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.281683 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -40.335
Base-Backbone interact. energy: -0.133
local terms energy: -53.814259
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -8.631
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: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -76.563759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.563759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.563759 (E_RNA)
where:
Base-Base interactions energy: -29.892
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.081
local terms energy: -46.590661
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -2.090
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: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -241.721863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.721863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.721863 (E_RNA)
where:
Base-Base interactions energy: -168.722
where: short stacking energy: -61.157
Base-Backbone interact. energy: 0.145
local terms energy: -73.144175
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -10.290
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: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -245.753094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.753094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.753094 (E_RNA)
where:
Base-Base interactions energy: -174.358
where: short stacking energy: -68.071
Base-Backbone interact. energy: -0.204
local terms energy: -71.190768
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -5.261
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: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -219.646200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646200 (E_RNA)
where:
Base-Base interactions energy: -139.474
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.166
local terms energy: -80.006878
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -198.139763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.139763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.139763 (E_RNA)
where:
Base-Base interactions energy: -130.385
where: short stacking energy: -66.013
Base-Backbone interact. energy: 0.924
local terms energy: -68.678516
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -184.152783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.152783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.152783 (E_RNA)
where:
Base-Base interactions energy: -107.047
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.002
local terms energy: -77.104008
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -15.082
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: 112
Temperature: 1.150000
Total energy: -160.561107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.561107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.561107 (E_RNA)
where:
Base-Base interactions energy: -102.207
where: short stacking energy: -41.510
Base-Backbone interact. energy: -0.352
local terms energy: -58.001355
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -94.190878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.190878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.190878 (E_RNA)
where:
Base-Base interactions energy: -35.327
where: short stacking energy: -35.327
Base-Backbone interact. energy: -0.362
local terms energy: -58.501284
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -12.709
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: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -82.771141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.771141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.771141 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -22.015
Base-Backbone interact. energy: 0.152
local terms energy: -53.675731
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -87.681071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681071 (E_RNA)
where:
Base-Base interactions energy: -35.628
where: short stacking energy: -22.136
Base-Backbone interact. energy: -0.161
local terms energy: -51.891973
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -83.220515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.220515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.220515 (E_RNA)
where:
Base-Base interactions energy: -28.481
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.196
local terms energy: -54.543412
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -3.239
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -241.851217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.851217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.851217 (E_RNA)
where:
Base-Base interactions energy: -163.374
where: short stacking energy: -71.499
Base-Backbone interact. energy: -0.789
local terms energy: -77.688598
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -17.318
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: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -218.820896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.820896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.820896 (E_RNA)
where:
Base-Base interactions energy: -140.429
where: short stacking energy: -62.589
Base-Backbone interact. energy: -0.098
local terms energy: -78.294368
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -236.815609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.815609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.815609 (E_RNA)
where:
Base-Base interactions energy: -168.577
where: short stacking energy: -64.949
Base-Backbone interact. energy: 0.310
local terms energy: -68.548263
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -186.083897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.083897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.083897 (E_RNA)
where:
Base-Base interactions energy: -116.261
where: short stacking energy: -51.467
Base-Backbone interact. energy: 1.421
local terms energy: -71.244176
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -197.599405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.599405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.599405 (E_RNA)
where:
Base-Base interactions energy: -126.103
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.109
local terms energy: -71.387520
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -15.765
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: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -186.196461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.196461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.196461 (E_RNA)
where:
Base-Base interactions energy: -118.195
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.107
local terms energy: -67.895354
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -11.857
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: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -92.224251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.224251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.224251 (E_RNA)
where:
Base-Base interactions energy: -33.613
where: short stacking energy: -33.018
Base-Backbone interact. energy: -0.191
local terms energy: -58.420398
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -5.938
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: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -89.155501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.155501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.155501 (E_RNA)
where:
Base-Base interactions energy: -38.515
where: short stacking energy: -33.431
Base-Backbone interact. energy: -0.341
local terms energy: -50.299856
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -0.872
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: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -91.838184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.838184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.838184 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.446
local terms energy: -58.810063
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -8.329
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: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -83.127180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.127180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.127180 (E_RNA)
where:
Base-Base interactions energy: -29.323
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.139
local terms energy: -53.665234
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -237.812001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.812001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.812001 (E_RNA)
where:
Base-Base interactions energy: -164.376
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.065
local terms energy: -73.371193
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -241.058807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.058807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.058807 (E_RNA)
where:
Base-Base interactions energy: -167.435
where: short stacking energy: -69.420
Base-Backbone interact. energy: -0.239
local terms energy: -73.384573
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -244.256538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.256538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.256538 (E_RNA)
where:
Base-Base interactions energy: -168.845
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.221
local terms energy: -75.190506
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.985
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: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -203.918656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.918656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.918656 (E_RNA)
where:
Base-Base interactions energy: -134.232
where: short stacking energy: -68.375
Base-Backbone interact. energy: -1.330
local terms energy: -68.356584
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -194.470127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.470127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.470127 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.020
local terms energy: -58.157705
where:
bonds (distance) C4'-P energy: -3.449
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -181.564474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.564474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.564474 (E_RNA)
where:
Base-Base interactions energy: -112.445
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.276
local terms energy: -68.843649
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -11.863
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: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -96.226798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.226798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.226798 (E_RNA)
where:
Base-Base interactions energy: -33.794
where: short stacking energy: -29.429
Base-Backbone interact. energy: -1.467
local terms energy: -60.965783
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -95.636448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.636448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.636448 (E_RNA)
where:
Base-Base interactions energy: -39.611
where: short stacking energy: -37.385
Base-Backbone interact. energy: -1.134
local terms energy: -54.890963
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -100.028718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.028718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.028718 (E_RNA)
where:
Base-Base interactions energy: -43.107
where: short stacking energy: -34.247
Base-Backbone interact. energy: -0.115
local terms energy: -56.806619
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -10.359
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: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -84.841320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841320 (E_RNA)
where:
Base-Base interactions energy: -33.568
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.140
local terms energy: -51.133377
where:
bonds (distance) C4'-P energy: -7.852
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -236.107412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.107412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.107412 (E_RNA)
where:
Base-Base interactions energy: -158.306
where: short stacking energy: -76.112
Base-Backbone interact. energy: -0.813
local terms energy: -76.988099
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -16.669
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -248.928723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.928723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.928723 (E_RNA)
where:
Base-Base interactions energy: -176.118
where: short stacking energy: -65.862
Base-Backbone interact. energy: -0.945
local terms energy: -71.865556
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -232.496894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.496894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.496894 (E_RNA)
where:
Base-Base interactions energy: -149.447
where: short stacking energy: -67.967
Base-Backbone interact. energy: -1.290
local terms energy: -81.760353
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -19.686
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: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -199.502536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.502536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.502536 (E_RNA)
where:
Base-Base interactions energy: -127.896
where: short stacking energy: -67.234
Base-Backbone interact. energy: -0.001
local terms energy: -71.605456
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -194.572527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.572527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.572527 (E_RNA)
where:
Base-Base interactions energy: -118.365
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.001
local terms energy: -76.206814
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -167.791852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.791852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.791852 (E_RNA)
where:
Base-Base interactions energy: -105.602
where: short stacking energy: -55.101
Base-Backbone interact. energy: -0.004
local terms energy: -62.186598
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -105.589552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.589552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.589552 (E_RNA)
where:
Base-Base interactions energy: -44.108
where: short stacking energy: -29.876
Base-Backbone interact. energy: -0.072
local terms energy: -61.409115
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -98.461065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.461065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.461065 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -25.682
Base-Backbone interact. energy: -0.313
local terms energy: -62.818789
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -5.885
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: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -111.146692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.146692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.146692 (E_RNA)
where:
Base-Base interactions energy: -54.182
where: short stacking energy: -37.726
Base-Backbone interact. energy: -0.861
local terms energy: -56.103241
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -79.561126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.561126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.561126 (E_RNA)
where:
Base-Base interactions energy: -32.760
where: short stacking energy: -31.029
Base-Backbone interact. energy: 1.732
local terms energy: -48.532689
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -246.802307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.802307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.802307 (E_RNA)
where:
Base-Base interactions energy: -179.758
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.726
local terms energy: -66.317511
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -235.268774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.268774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.268774 (E_RNA)
where:
Base-Base interactions energy: -163.781
where: short stacking energy: -73.205
Base-Backbone interact. energy: -0.495
local terms energy: -70.993041
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -15.885
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: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -231.802617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.802617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.802617 (E_RNA)
where:
Base-Base interactions energy: -156.560
where: short stacking energy: -70.638
Base-Backbone interact. energy: -0.345
local terms energy: -74.897069
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -199.354622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.354622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.354622 (E_RNA)
where:
Base-Base interactions energy: -122.575
where: short stacking energy: -65.923
Base-Backbone interact. energy: 0.516
local terms energy: -77.295740
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -191.816630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.816630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.816630 (E_RNA)
where:
Base-Base interactions energy: -117.247
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.036
local terms energy: -74.534362
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -9.204
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -179.647052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.647052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.647052 (E_RNA)
where:
Base-Base interactions energy: -111.017
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.027
local terms energy: -68.603767
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -97.028887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.028887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.028887 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -32.998
Base-Backbone interact. energy: -0.058
local terms energy: -61.368395
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -100.259231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259231 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -38.896
Base-Backbone interact. energy: -0.126
local terms energy: -61.237222
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -81.776415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776415 (E_RNA)
where:
Base-Base interactions energy: -24.035
where: short stacking energy: -23.835
Base-Backbone interact. energy: -0.217
local terms energy: -57.524066
where:
bonds (distance) C4'-P energy: -6.784
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -84.114070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.114070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.114070 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -16.853
Base-Backbone interact. energy: -0.181
local terms energy: -41.184616
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: 2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -237.551979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.551979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.551979 (E_RNA)
where:
Base-Base interactions energy: -158.322
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.544
local terms energy: -78.686235
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -236.176428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.176428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.176428 (E_RNA)
where:
Base-Base interactions energy: -157.205
where: short stacking energy: -64.199
Base-Backbone interact. energy: 0.894
local terms energy: -79.865648
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -222.053177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.053177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.053177 (E_RNA)
where:
Base-Base interactions energy: -143.726
where: short stacking energy: -66.136
Base-Backbone interact. energy: 0.184
local terms energy: -78.511589
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -208.223112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.223112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.223112 (E_RNA)
where:
Base-Base interactions energy: -131.751
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.001
local terms energy: -76.470797
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -196.252900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.252900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.252900 (E_RNA)
where:
Base-Base interactions energy: -125.926
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.029
local terms energy: -70.298076
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -177.089899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.089899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.089899 (E_RNA)
where:
Base-Base interactions energy: -110.294
where: short stacking energy: -52.361
Base-Backbone interact. energy: -0.013
local terms energy: -66.782945
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -14.320
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: 7, replica: 1
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -112.300066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.300066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.300066 (E_RNA)
where:
Base-Base interactions energy: -47.236
where: short stacking energy: -47.236
Base-Backbone interact. energy: -0.069
local terms energy: -64.995418
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -10.541
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: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -90.412172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.412172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.412172 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -37.925
Base-Backbone interact. energy: -0.236
local terms energy: -52.250588
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -94.468557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.468557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.468557 (E_RNA)
where:
Base-Base interactions energy: -43.965
where: short stacking energy: -34.852
Base-Backbone interact. energy: 0.434
local terms energy: -50.938094
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -88.781304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.781304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.781304 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -18.495
Base-Backbone interact. energy: -0.005
local terms energy: -41.605119
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: 0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -242.637110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.637110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.637110 (E_RNA)
where:
Base-Base interactions energy: -163.825
where: short stacking energy: -69.829
Base-Backbone interact. energy: -0.683
local terms energy: -78.129678
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -11.893
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: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -236.642830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.642830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.642830 (E_RNA)
where:
Base-Base interactions energy: -158.608
where: short stacking energy: -76.687
Base-Backbone interact. energy: -0.488
local terms energy: -77.546816
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.521
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: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -204.664701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.664701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.664701 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.070
local terms energy: -75.094346
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -201.417125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.417125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.417125 (E_RNA)
where:
Base-Base interactions energy: -126.749
where: short stacking energy: -53.347
Base-Backbone interact. energy: -1.069
local terms energy: -73.599219
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -175.780735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.780735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.780735 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.016
local terms energy: -67.487262
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -170.421543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.421543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.421543 (E_RNA)
where:
Base-Base interactions energy: -104.481
where: short stacking energy: -55.879
Base-Backbone interact. energy: 1.374
local terms energy: -67.314568
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -100.895100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.895100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.895100 (E_RNA)
where:
Base-Base interactions energy: -39.053
where: short stacking energy: -36.811
Base-Backbone interact. energy: -0.164
local terms energy: -61.677975
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -5.285
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: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -104.612541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.612541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.612541 (E_RNA)
where:
Base-Base interactions energy: -33.575
where: short stacking energy: -28.785
Base-Backbone interact. energy: -0.137
local terms energy: -70.899871
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -90.020290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.020290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.020290 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -28.014
Base-Backbone interact. energy: -0.062
local terms energy: -59.328464
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -11.063
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: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -94.558736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.558736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.558736 (E_RNA)
where:
Base-Base interactions energy: -40.864
where: short stacking energy: -38.413
Base-Backbone interact. energy: 0.199
local terms energy: -53.893476
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -252.072994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.072994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.072994 (E_RNA)
where:
Base-Base interactions energy: -177.120
where: short stacking energy: -71.295
Base-Backbone interact. energy: -0.254
local terms energy: -74.698593
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -240.360203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.360203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.360203 (E_RNA)
where:
Base-Base interactions energy: -166.996
where: short stacking energy: -74.655
Base-Backbone interact. energy: -0.245
local terms energy: -73.119461
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -204.540603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.540603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.540603 (E_RNA)
where:
Base-Base interactions energy: -133.685
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.464
local terms energy: -70.392001
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -172.807395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.807395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.807395 (E_RNA)
where:
Base-Base interactions energy: -99.799
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.025
local terms energy: -72.983328
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -12.228
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: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -208.050541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.050541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.050541 (E_RNA)
where:
Base-Base interactions energy: -131.793
where: short stacking energy: -70.953
Base-Backbone interact. energy: 0.065
local terms energy: -76.323034
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -115.355213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.355213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.355213 (E_RNA)
where:
Base-Base interactions energy: -46.035
where: short stacking energy: -46.035
Base-Backbone interact. energy: 0.319
local terms energy: -69.639071
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -168.201236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.201236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.201236 (E_RNA)
where:
Base-Base interactions energy: -104.925
where: short stacking energy: -44.715
Base-Backbone interact. energy: -0.024
local terms energy: -63.252737
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -95.601693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.601693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.601693 (E_RNA)
where:
Base-Base interactions energy: -41.223
where: short stacking energy: -41.553
Base-Backbone interact. energy: -0.266
local terms energy: -54.113369
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -0.215
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: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -87.569795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.569795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.569795 (E_RNA)
where:
Base-Base interactions energy: -27.603
where: short stacking energy: -23.381
Base-Backbone interact. energy: -0.224
local terms energy: -59.742824
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -0.307
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: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -89.856840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.856840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.856840 (E_RNA)
where:
Base-Base interactions energy: -33.657
where: short stacking energy: -32.463
Base-Backbone interact. energy: -1.482
local terms energy: -54.717569
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -6.954
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: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -241.790433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.790433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.790433 (E_RNA)
where:
Base-Base interactions energy: -160.939
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.049
local terms energy: -80.801729
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -231.480762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.480762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.480762 (E_RNA)
where:
Base-Base interactions energy: -159.674
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.488
local terms energy: -71.319255
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -199.750635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.750635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.750635 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.117
local terms energy: -75.286669
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -13.443
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: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -165.213538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.213538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.213538 (E_RNA)
where:
Base-Base interactions energy: -101.773
where: short stacking energy: -51.106
Base-Backbone interact. energy: -0.081
local terms energy: -63.359027
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.578
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: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -189.190204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.190204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.190204 (E_RNA)
where:
Base-Base interactions energy: -116.828
where: short stacking energy: -56.437
Base-Backbone interact. energy: -1.002
local terms energy: -71.360870
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -12.669
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: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -123.477276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.477276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.477276 (E_RNA)
where:
Base-Base interactions energy: -52.842
where: short stacking energy: -52.112
Base-Backbone interact. energy: -0.345
local terms energy: -70.289945
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -181.382894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.382894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.382894 (E_RNA)
where:
Base-Base interactions energy: -116.160
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.142
local terms energy: -65.081321
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -100.395484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.395484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.395484 (E_RNA)
where:
Base-Base interactions energy: -47.551
where: short stacking energy: -44.102
Base-Backbone interact. energy: -0.383
local terms energy: -52.461650
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -86.607949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.607949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.607949 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.570
local terms energy: -50.547872
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -88.125284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.125284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.125284 (E_RNA)
where:
Base-Base interactions energy: -31.895
where: short stacking energy: -22.309
Base-Backbone interact. energy: -0.018
local terms energy: -56.212637
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -0.600
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: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -236.477139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.477139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.477139 (E_RNA)
where:
Base-Base interactions energy: -165.282
where: short stacking energy: -57.939
Base-Backbone interact. energy: 0.071
local terms energy: -71.266882
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -242.043754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.043754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.043754 (E_RNA)
where:
Base-Base interactions energy: -166.262
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.878
local terms energy: -74.903929
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -21.539
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: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -206.718972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.718972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.718972 (E_RNA)
where:
Base-Base interactions energy: -123.478
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.143
local terms energy: -83.098061
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -19.235
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: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -187.907903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.907903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.907903 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.072
local terms energy: -67.562191
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -171.487065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.487065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.487065 (E_RNA)
where:
Base-Base interactions energy: -105.428
where: short stacking energy: -54.634
Base-Backbone interact. energy: -0.025
local terms energy: -66.033738
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -12.200
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: 121
Temperature: 1.150000
Total energy: -174.439459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.439459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.439459 (E_RNA)
where:
Base-Base interactions energy: -103.364
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.109
local terms energy: -70.965951
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.749
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: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -99.004297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.004297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.004297 (E_RNA)
where:
Base-Base interactions energy: -44.841
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.370
local terms energy: -53.793352
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -91.566541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566541 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -34.589
Base-Backbone interact. energy: -1.060
local terms energy: -54.430897
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -9.334
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: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -101.449308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.449308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.449308 (E_RNA)
where:
Base-Base interactions energy: -37.584
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.037
local terms energy: -63.828557
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -84.479892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.479892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.479892 (E_RNA)
where:
Base-Base interactions energy: -31.661
where: short stacking energy: -31.661
Base-Backbone interact. energy: -0.314
local terms energy: -52.505506
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -242.796909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.796909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.796909 (E_RNA)
where:
Base-Base interactions energy: -159.903
where: short stacking energy: -70.372
Base-Backbone interact. energy: -0.507
local terms energy: -82.386522
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -243.408650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.408650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.408650 (E_RNA)
where:
Base-Base interactions energy: -167.801
where: short stacking energy: -69.997
Base-Backbone interact. energy: 0.004
local terms energy: -75.610801
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -8.930
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: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -208.356667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.356667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.356667 (E_RNA)
where:
Base-Base interactions energy: -133.844
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.022
local terms energy: -74.491178
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.183
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: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -190.394350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.394350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.394350 (E_RNA)
where:
Base-Base interactions energy: -124.011
where: short stacking energy: -64.640
Base-Backbone interact. energy: -0.360
local terms energy: -66.023136
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -204.459632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.459632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.459632 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.653
local terms energy: -74.172531
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -164.627467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.627467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.627467 (E_RNA)
where:
Base-Base interactions energy: -101.790
where: short stacking energy: -42.439
Base-Backbone interact. energy: -0.240
local terms energy: -62.597323
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -111.176205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.176205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.176205 (E_RNA)
where:
Base-Base interactions energy: -68.241
where: short stacking energy: -24.712
Base-Backbone interact. energy: 0.737
local terms energy: -43.672060
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -1.396
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: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -91.060259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.060259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.060259 (E_RNA)
where:
Base-Base interactions energy: -43.128
where: short stacking energy: -39.139
Base-Backbone interact. energy: 1.995
local terms energy: -49.927143
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -81.787625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.787625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.787625 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -28.366
Base-Backbone interact. energy: -0.425
local terms energy: -51.651633
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -8.339
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: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -81.756528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.756528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.756528 (E_RNA)
where:
Base-Base interactions energy: -32.542
where: short stacking energy: -31.063
Base-Backbone interact. energy: -0.268
local terms energy: -48.946279
where:
bonds (distance) C4'-P energy: -6.988
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -242.029670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.029670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.029670 (E_RNA)
where:
Base-Base interactions energy: -160.682
where: short stacking energy: -64.579
Base-Backbone interact. energy: 0.562
local terms energy: -81.910167
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -237.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.897067 (E_RNA)
where:
Base-Base interactions energy: -166.190
where: short stacking energy: -53.358
Base-Backbone interact. energy: -1.096
local terms energy: -70.611553
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -207.000956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.000956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.000956 (E_RNA)
where:
Base-Base interactions energy: -136.196
where: short stacking energy: -65.376
Base-Backbone interact. energy: 1.124
local terms energy: -71.928920
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -205.266086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.266086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.266086 (E_RNA)
where:
Base-Base interactions energy: -129.173
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.025
local terms energy: -76.068498
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -212.018601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.018601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.018601 (E_RNA)
where:
Base-Base interactions energy: -139.317
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.015
local terms energy: -72.686132
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.667
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: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -179.308483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.308483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.308483 (E_RNA)
where:
Base-Base interactions energy: -100.723
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.569
local terms energy: -78.016269
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -89.322218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.322218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.322218 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.150
local terms energy: -50.717232
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -92.492734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.492734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.492734 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -37.233
Base-Backbone interact. energy: -0.183
local terms energy: -51.527883
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -94.978705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.978705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.978705 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.117
local terms energy: -55.462193
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -89.596663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.596663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.596663 (E_RNA)
where:
Base-Base interactions energy: -35.993
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.368
local terms energy: -53.235117
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -3.260
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: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -231.540547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.540547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.540547 (E_RNA)
where:
Base-Base interactions energy: -154.260
where: short stacking energy: -60.824
Base-Backbone interact. energy: -1.852
local terms energy: -75.428050
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -11.740
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: 124
Temperature: 0.950000
Total energy: -228.550450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.550450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.550450 (E_RNA)
where:
Base-Base interactions energy: -161.215
where: short stacking energy: -66.116
Base-Backbone interact. energy: -0.406
local terms energy: -66.929225
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -15.129
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: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -218.675103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.675103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.675103 (E_RNA)
where:
Base-Base interactions energy: -142.823
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.198
local terms energy: -75.653980
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.999
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: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -198.548532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.548532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.548532 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -64.550
Base-Backbone interact. energy: -1.404
local terms energy: -66.792008
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -193.890593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890593 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.893
local terms energy: -71.358552
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -163.854166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.854166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.854166 (E_RNA)
where:
Base-Base interactions energy: -98.525
where: short stacking energy: -53.089
Base-Backbone interact. energy: 0.406
local terms energy: -65.734598
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -102.466126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.466126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.466126 (E_RNA)
where:
Base-Base interactions energy: -46.091
where: short stacking energy: -43.638
Base-Backbone interact. energy: 0.325
local terms energy: -56.700709
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -10.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -100.741373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.741373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.741373 (E_RNA)
where:
Base-Base interactions energy: -43.663
where: short stacking energy: -29.032
Base-Backbone interact. energy: -0.289
local terms energy: -56.789814
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -7.511
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: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -90.755739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.755739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.755739 (E_RNA)
where:
Base-Base interactions energy: -38.250
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.625
local terms energy: -51.880951
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -80.658452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.658452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.658452 (E_RNA)
where:
Base-Base interactions energy: -21.800
where: short stacking energy: -21.800
Base-Backbone interact. energy: 0.303
local terms energy: -59.160737
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -214.667809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.667809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.667809 (E_RNA)
where:
Base-Base interactions energy: -136.906
where: short stacking energy: -57.516
Base-Backbone interact. energy: 1.373
local terms energy: -79.134961
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -11.786
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: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -233.194008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.194008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.194008 (E_RNA)
where:
Base-Base interactions energy: -158.849
where: short stacking energy: -63.366
Base-Backbone interact. energy: 0.141
local terms energy: -74.486187
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -13.684
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: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -221.955707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.955707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.955707 (E_RNA)
where:
Base-Base interactions energy: -145.476
where: short stacking energy: -58.269
Base-Backbone interact. energy: 0.069
local terms energy: -76.548041
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.421
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: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -188.522008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.522008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.522008 (E_RNA)
where:
Base-Base interactions energy: -112.447
where: short stacking energy: -67.674
Base-Backbone interact. energy: -0.247
local terms energy: -75.827979
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -156.713131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.713131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.713131 (E_RNA)
where:
Base-Base interactions energy: -90.910
where: short stacking energy: -46.507
Base-Backbone interact. energy: -0.157
local terms energy: -65.646277
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -101.590871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.590871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.590871 (E_RNA)
where:
Base-Base interactions energy: -33.799
where: short stacking energy: -33.700
Base-Backbone interact. energy: -0.164
local terms energy: -67.627083
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -9.316
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: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -101.848549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.848549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.848549 (E_RNA)
where:
Base-Base interactions energy: -50.981
where: short stacking energy: -42.111
Base-Backbone interact. energy: -0.230
local terms energy: -50.637289
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -8.282
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -6.635
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: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -98.483929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.483929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.483929 (E_RNA)
where:
Base-Base interactions energy: -39.561
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.248
local terms energy: -58.674850
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -89.731798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731798 (E_RNA)
where:
Base-Base interactions energy: -37.085
where: short stacking energy: -37.085
Base-Backbone interact. energy: -0.160
local terms energy: -52.486868
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -87.664621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.664621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.664621 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -28.599
Base-Backbone interact. energy: -0.200
local terms energy: -54.145273
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -6.686
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: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -245.639688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.639688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.639688 (E_RNA)
where:
Base-Base interactions energy: -168.171
where: short stacking energy: -74.496
Base-Backbone interact. energy: -0.428
local terms energy: -77.041175
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -216.527110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527110 (E_RNA)
where:
Base-Base interactions energy: -139.725
where: short stacking energy: -54.940
Base-Backbone interact. energy: -2.297
local terms energy: -74.505138
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -205.657618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.657618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.657618 (E_RNA)
where:
Base-Base interactions energy: -132.782
where: short stacking energy: -65.286
Base-Backbone interact. energy: -0.015
local terms energy: -72.861112
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -8.930
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: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -197.089834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.089834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.089834 (E_RNA)
where:
Base-Base interactions energy: -132.633
where: short stacking energy: -62.300
Base-Backbone interact. energy: -1.439
local terms energy: -63.017699
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -159.892729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.892729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.892729 (E_RNA)
where:
Base-Base interactions energy: -90.068
where: short stacking energy: -44.589
Base-Backbone interact. energy: -0.111
local terms energy: -69.713079
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -8.190
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: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -106.216093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.216093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.216093 (E_RNA)
where:
Base-Base interactions energy: -43.210
where: short stacking energy: -43.210
Base-Backbone interact. energy: -0.135
local terms energy: -62.871203
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -111.354181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.354181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.354181 (E_RNA)
where:
Base-Base interactions energy: -55.920
where: short stacking energy: -23.919
Base-Backbone interact. energy: -0.568
local terms energy: -54.866689
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -8.897
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: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -96.904669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.904669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.904669 (E_RNA)
where:
Base-Base interactions energy: -38.502
where: short stacking energy: -35.307
Base-Backbone interact. energy: -0.190
local terms energy: -58.211899
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -4.405
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: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -92.237557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.237557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.237557 (E_RNA)
where:
Base-Base interactions energy: -38.682
where: short stacking energy: -26.900
Base-Backbone interact. energy: -0.056
local terms energy: -53.499222
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -78.764977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764977 (E_RNA)
where:
Base-Base interactions energy: -39.604
where: short stacking energy: -38.012
Base-Backbone interact. energy: -0.110
local terms energy: -39.051007
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -5.504
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -244.464700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.464700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.464700 (E_RNA)
where:
Base-Base interactions energy: -166.244
where: short stacking energy: -72.402
Base-Backbone interact. energy: -0.323
local terms energy: -77.897839
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -234.492818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.492818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.492818 (E_RNA)
where:
Base-Base interactions energy: -165.014
where: short stacking energy: -55.913
Base-Backbone interact. energy: -0.813
local terms energy: -68.665628
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -11.756
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: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -201.706352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.706352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.706352 (E_RNA)
where:
Base-Base interactions energy: -123.572
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.380
local terms energy: -77.753981
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -15.880
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: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -193.145129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.145129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.145129 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -62.603
Base-Backbone interact. energy: -0.419
local terms energy: -68.997037
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -186.832770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.832770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.832770 (E_RNA)
where:
Base-Base interactions energy: -111.217
where: short stacking energy: -60.970
Base-Backbone interact. energy: -0.058
local terms energy: -75.557799
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -106.780699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.780699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.780699 (E_RNA)
where:
Base-Base interactions energy: -37.452
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.111
local terms energy: -69.217723
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -98.871835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871835 (E_RNA)
where:
Base-Base interactions energy: -45.581
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.496
local terms energy: -52.793963
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -91.766899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.766899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.766899 (E_RNA)
where:
Base-Base interactions energy: -39.256
where: short stacking energy: -27.111
Base-Backbone interact. energy: -0.260
local terms energy: -52.251419
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -102.204556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.204556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.204556 (E_RNA)
where:
Base-Base interactions energy: -42.220
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.312
local terms energy: -59.672374
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -82.375433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.375433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.375433 (E_RNA)
where:
Base-Base interactions energy: -32.007
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.009
local terms energy: -50.360039
where:
bonds (distance) C4'-P energy: -6.040
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -253.531710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.531710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.531710 (E_RNA)
where:
Base-Base interactions energy: -179.532
where: short stacking energy: -65.106
Base-Backbone interact. energy: 1.255
local terms energy: -75.255111
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -236.023338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.023338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.023338 (E_RNA)
where:
Base-Base interactions energy: -156.142
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.161
local terms energy: -79.720180
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -215.612012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612012 (E_RNA)
where:
Base-Base interactions energy: -142.512
where: short stacking energy: -70.777
Base-Backbone interact. energy: -0.008
local terms energy: -73.092069
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -206.979380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.979380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.979380 (E_RNA)
where:
Base-Base interactions energy: -136.920
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.834
local terms energy: -69.225723
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -15.314
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: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -188.228861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.228861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.228861 (E_RNA)
where:
Base-Base interactions energy: -121.481
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.475
local terms energy: -66.272365
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -16.781
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: 128
Temperature: 1.150000
Total energy: -102.904635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.904635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.904635 (E_RNA)
where:
Base-Base interactions energy: -33.676
where: short stacking energy: -30.424
Base-Backbone interact. energy: -0.460
local terms energy: -68.769506
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -98.083317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.083317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.083317 (E_RNA)
where:
Base-Base interactions energy: -42.367
where: short stacking energy: -39.239
Base-Backbone interact. energy: -0.776
local terms energy: -54.940019
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -88.339015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.339015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.339015 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -31.420
Base-Backbone interact. energy: -0.193
local terms energy: -54.642564
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -85.962512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962512 (E_RNA)
where:
Base-Base interactions energy: -32.216
where: short stacking energy: -29.195
Base-Backbone interact. energy: -0.200
local terms energy: -53.545975
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -103.010143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.010143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.010143 (E_RNA)
where:
Base-Base interactions energy: -55.948
where: short stacking energy: -27.989
Base-Backbone interact. energy: 0.425
local terms energy: -47.487433
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -8.403
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: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -250.630080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.630080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.630080 (E_RNA)
where:
Base-Base interactions energy: -172.695
where: short stacking energy: -63.464
Base-Backbone interact. energy: -0.163
local terms energy: -77.771219
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -238.642707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.642707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.642707 (E_RNA)
where:
Base-Base interactions energy: -166.321
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.430
local terms energy: -71.891996
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -206.512628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.512628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.512628 (E_RNA)
where:
Base-Base interactions energy: -131.448
where: short stacking energy: -58.165
Base-Backbone interact. energy: -0.089
local terms energy: -74.974901
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -202.359995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.359995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.359995 (E_RNA)
where:
Base-Base interactions energy: -133.287
where: short stacking energy: -66.855
Base-Backbone interact. energy: -0.008
local terms energy: -69.065559
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -185.947617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.947617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.947617 (E_RNA)
where:
Base-Base interactions energy: -113.043
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.395
local terms energy: -72.509280
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -118.764184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.764184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.764184 (E_RNA)
where:
Base-Base interactions energy: -54.042
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.759
local terms energy: -63.963090
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -100.341077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.341077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.341077 (E_RNA)
where:
Base-Base interactions energy: -49.681
where: short stacking energy: -33.140
Base-Backbone interact. energy: -0.248
local terms energy: -50.411581
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -101.101152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.101152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.101152 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.019
local terms energy: -60.554591
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -90.972604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.972604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.972604 (E_RNA)
where:
Base-Base interactions energy: -48.053
where: short stacking energy: -41.724
Base-Backbone interact. energy: -0.125
local terms energy: -42.794350
where:
bonds (distance) C4'-P energy: -8.008
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -88.690197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.690197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.690197 (E_RNA)
where:
Base-Base interactions energy: -32.271
where: short stacking energy: -32.271
Base-Backbone interact. energy: -0.245
local terms energy: -56.174533
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -249.012044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.012044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.012044 (E_RNA)
where:
Base-Base interactions energy: -161.820
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.353
local terms energy: -86.838746
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -251.798064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.798064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.798064 (E_RNA)
where:
Base-Base interactions energy: -171.626
where: short stacking energy: -65.455
Base-Backbone interact. energy: -1.575
local terms energy: -78.596997
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -210.301204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.301204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.301204 (E_RNA)
where:
Base-Base interactions energy: -135.012
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.057
local terms energy: -75.231512
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -203.535584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.535584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.535584 (E_RNA)
where:
Base-Base interactions energy: -128.526
where: short stacking energy: -59.868
Base-Backbone interact. energy: -0.064
local terms energy: -74.945103
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -187.812298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.812298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.812298 (E_RNA)
where:
Base-Base interactions energy: -114.096
where: short stacking energy: -51.441
Base-Backbone interact. energy: -0.795
local terms energy: -72.921231
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -99.240136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.240136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.240136 (E_RNA)
where:
Base-Base interactions energy: -48.816
where: short stacking energy: -30.786
Base-Backbone interact. energy: -0.335
local terms energy: -50.089260
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: 1.911
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: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -124.767434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.767434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.767434 (E_RNA)
where:
Base-Base interactions energy: -62.462
where: short stacking energy: -37.520
Base-Backbone interact. energy: -1.007
local terms energy: -61.298408
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -98.911097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.911097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.911097 (E_RNA)
where:
Base-Base interactions energy: -35.574
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.022
local terms energy: -63.315879
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.007
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: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -90.403041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.403041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.403041 (E_RNA)
where:
Base-Base interactions energy: -25.367
where: short stacking energy: -23.650
Base-Backbone interact. energy: -0.525
local terms energy: -64.511232
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -87.411519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.411519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.411519 (E_RNA)
where:
Base-Base interactions energy: -30.989
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.729
local terms energy: -55.693713
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -237.174953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.174953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.174953 (E_RNA)
where:
Base-Base interactions energy: -157.504
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.098
local terms energy: -79.572889
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -12.052
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: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -242.890039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.890039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.890039 (E_RNA)
where:
Base-Base interactions energy: -168.353
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.640
local terms energy: -73.896325
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -7.078
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: 131
Temperature: 1.000000
Total energy: -214.018772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.018772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.018772 (E_RNA)
where:
Base-Base interactions energy: -145.652
where: short stacking energy: -74.754
Base-Backbone interact. energy: 1.522
local terms energy: -69.888120
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -191.643470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.643470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.643470 (E_RNA)
where:
Base-Base interactions energy: -116.272
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.221
local terms energy: -75.150287
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -187.076916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.076916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.076916 (E_RNA)
where:
Base-Base interactions energy: -112.346
where: short stacking energy: -58.603
Base-Backbone interact. energy: -0.040
local terms energy: -74.691573
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -121.088205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.088205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.088205 (E_RNA)
where:
Base-Base interactions energy: -51.064
where: short stacking energy: -48.342
Base-Backbone interact. energy: -0.836
local terms energy: -69.187382
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -105.903415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.903415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.903415 (E_RNA)
where:
Base-Base interactions energy: -47.544
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.073
local terms energy: -58.286122
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -89.477815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.477815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.477815 (E_RNA)
where:
Base-Base interactions energy: -41.913
where: short stacking energy: -32.600
Base-Backbone interact. energy: 0.456
local terms energy: -48.020406
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -86.720673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.720673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.720673 (E_RNA)
where:
Base-Base interactions energy: -36.757
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.420
local terms energy: -49.543162
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -79.513020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.513020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.513020 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.122
local terms energy: -45.323968
where:
bonds (distance) C4'-P energy: -6.177
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -242.960138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.960138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.960138 (E_RNA)
where:
Base-Base interactions energy: -162.656
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.354
local terms energy: -79.950543
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -233.449138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.449138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.449138 (E_RNA)
where:
Base-Base interactions energy: -158.901
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.107
local terms energy: -74.441725
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -213.785990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.785990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.785990 (E_RNA)
where:
Base-Base interactions energy: -136.769
where: short stacking energy: -66.384
Base-Backbone interact. energy: -0.164
local terms energy: -76.853156
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -196.781730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.781730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.781730 (E_RNA)
where:
Base-Base interactions energy: -122.482
where: short stacking energy: -71.681
Base-Backbone interact. energy: -0.761
local terms energy: -73.538407
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -112.262479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.262479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.262479 (E_RNA)
where:
Base-Base interactions energy: -50.584
where: short stacking energy: -32.683
Base-Backbone interact. energy: -0.059
local terms energy: -61.619521
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -167.711555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.711555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.711555 (E_RNA)
where:
Base-Base interactions energy: -103.811
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.183
local terms energy: -63.717847
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -2.371
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: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -92.803643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.803643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.803643 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.123
local terms energy: -46.139675
where:
bonds (distance) C4'-P energy: -7.332
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.475
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: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -91.071161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.071161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.071161 (E_RNA)
where:
Base-Base interactions energy: -42.027
where: short stacking energy: -32.554
Base-Backbone interact. energy: 2.252
local terms energy: -51.295558
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -7.045
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -80.689432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.689432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.689432 (E_RNA)
where:
Base-Base interactions energy: -26.431
where: short stacking energy: -22.144
Base-Backbone interact. energy: -0.602
local terms energy: -53.656230
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -0.055
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: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -84.407278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.407278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.407278 (E_RNA)
where:
Base-Base interactions energy: -29.748
where: short stacking energy: -28.734
Base-Backbone interact. energy: -0.174
local terms energy: -54.484695
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -243.922268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.922268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.922268 (E_RNA)
where:
Base-Base interactions energy: -166.853
where: short stacking energy: -64.223
Base-Backbone interact. energy: -0.594
local terms energy: -76.475125
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -15.144
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: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -232.001565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.001565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.001565 (E_RNA)
where:
Base-Base interactions energy: -161.612
where: short stacking energy: -62.109
Base-Backbone interact. energy: 0.110
local terms energy: -70.499894
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -6.223
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -208.179609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.179609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.179609 (E_RNA)
where:
Base-Base interactions energy: -129.640
where: short stacking energy: -68.534
Base-Backbone interact. energy: 0.022
local terms energy: -78.561867
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -10.408
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: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -174.957361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.957361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.957361 (E_RNA)
where:
Base-Base interactions energy: -99.194
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.137
local terms energy: -75.626605
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -121.337589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.337589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.337589 (E_RNA)
where:
Base-Base interactions energy: -56.986
where: short stacking energy: -45.465
Base-Backbone interact. energy: -0.407
local terms energy: -63.944527
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -162.878179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.878179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.878179 (E_RNA)
where:
Base-Base interactions energy: -98.651
where: short stacking energy: -48.529
Base-Backbone interact. energy: 0.032
local terms energy: -64.259466
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -92.628436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.628436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.628436 (E_RNA)
where:
Base-Base interactions energy: -34.537
where: short stacking energy: -25.661
Base-Backbone interact. energy: 2.947
local terms energy: -61.038545
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -104.240942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.240942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.240942 (E_RNA)
where:
Base-Base interactions energy: -41.563
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.066
local terms energy: -62.611683
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -84.273988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.273988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.273988 (E_RNA)
where:
Base-Base interactions energy: -26.774
where: short stacking energy: -19.596
Base-Backbone interact. energy: 1.043
local terms energy: -58.543290
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -8.031
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -83.854709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.854709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.854709 (E_RNA)
where:
Base-Base interactions energy: -32.949
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.066
local terms energy: -50.839555
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -235.270641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.270641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.270641 (E_RNA)
where:
Base-Base interactions energy: -159.217
where: short stacking energy: -67.267
Base-Backbone interact. energy: -1.356
local terms energy: -74.697825
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -238.992026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.992026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.992026 (E_RNA)
where:
Base-Base interactions energy: -159.428
where: short stacking energy: -69.567
Base-Backbone interact. energy: -1.080
local terms energy: -78.483857
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -9.971
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: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -192.343189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.343189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.343189 (E_RNA)
where:
Base-Base interactions energy: -118.323
where: short stacking energy: -56.926
Base-Backbone interact. energy: -1.080
local terms energy: -72.940161
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -190.415491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.415491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.415491 (E_RNA)
where:
Base-Base interactions energy: -123.022
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.071
local terms energy: -67.322413
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -154.575263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.575263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.575263 (E_RNA)
where:
Base-Base interactions energy: -102.503
where: short stacking energy: -40.310
Base-Backbone interact. energy: 0.242
local terms energy: -52.314332
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -108.966098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.966098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.966098 (E_RNA)
where:
Base-Base interactions energy: -46.907
where: short stacking energy: -43.118
Base-Backbone interact. energy: -1.547
local terms energy: -60.512347
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.205
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: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -122.415456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.415456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.415456 (E_RNA)
where:
Base-Base interactions energy: -54.383
where: short stacking energy: -45.660
Base-Backbone interact. energy: -1.610
local terms energy: -66.422361
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -10.181
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: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -99.927277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.927277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.927277 (E_RNA)
where:
Base-Base interactions energy: -31.311
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.793
local terms energy: -67.823596
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -87.114271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.114271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.114271 (E_RNA)
where:
Base-Base interactions energy: -30.387
where: short stacking energy: -28.830
Base-Backbone interact. energy: 1.548
local terms energy: -58.274695
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -104.914659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.914659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.914659 (E_RNA)
where:
Base-Base interactions energy: -51.265
where: short stacking energy: -35.056
Base-Backbone interact. energy: -0.465
local terms energy: -53.184647
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -241.951824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.951824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.951824 (E_RNA)
where:
Base-Base interactions energy: -161.135
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.184
local terms energy: -80.632373
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -234.470769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.470769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.470769 (E_RNA)
where:
Base-Base interactions energy: -158.265
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.265
local terms energy: -75.940045
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -13.826
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -193.960056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.960056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.960056 (E_RNA)
where:
Base-Base interactions energy: -128.451
where: short stacking energy: -55.054
Base-Backbone interact. energy: -0.540
local terms energy: -64.969484
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -14.699
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: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -194.912400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.912400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.912400 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -61.241
Base-Backbone interact. energy: -0.136
local terms energy: -78.283308
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -176.275016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.275016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.275016 (E_RNA)
where:
Base-Base interactions energy: -115.695
where: short stacking energy: -56.527
Base-Backbone interact. energy: 1.388
local terms energy: -61.968358
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -96.109314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.109314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.109314 (E_RNA)
where:
Base-Base interactions energy: -40.833
where: short stacking energy: -32.543
Base-Backbone interact. energy: -0.343
local terms energy: -54.933001
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -99.034768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.034768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.034768 (E_RNA)
where:
Base-Base interactions energy: -40.763
where: short stacking energy: -34.759
Base-Backbone interact. energy: -1.051
local terms energy: -57.220553
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -92.126647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.126647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.126647 (E_RNA)
where:
Base-Base interactions energy: -38.645
where: short stacking energy: -34.718
Base-Backbone interact. energy: -0.295
local terms energy: -53.186637
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -87.403481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.403481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.403481 (E_RNA)
where:
Base-Base interactions energy: -37.299
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.051
local terms energy: -50.053938
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -95.444861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.444861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.444861 (E_RNA)
where:
Base-Base interactions energy: -37.325
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.534
local terms energy: -57.586531
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -5.993
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -244.303111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.303111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.303111 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -74.502
Base-Backbone interact. energy: -2.130
local terms energy: -83.509030
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -248.567096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.567096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.567096 (E_RNA)
where:
Base-Base interactions energy: -167.679
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.378
local terms energy: -80.509853
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -208.772951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.772951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.772951 (E_RNA)
where:
Base-Base interactions energy: -130.885
where: short stacking energy: -67.348
Base-Backbone interact. energy: 2.511
local terms energy: -80.399055
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -15.464
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -195.867434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.867434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.867434 (E_RNA)
where:
Base-Base interactions energy: -123.800
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.044
local terms energy: -72.022930
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -12.514
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: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -189.823148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.823148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.823148 (E_RNA)
where:
Base-Base interactions energy: -127.691
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.010
local terms energy: -62.121988
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -111.510927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.510927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.510927 (E_RNA)
where:
Base-Base interactions energy: -49.080
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.003
local terms energy: -62.427476
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -10.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -97.805405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.805405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.805405 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -38.144
Base-Backbone interact. energy: 4.283
local terms energy: -59.888866
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -91.794651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.794651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.794651 (E_RNA)
where:
Base-Base interactions energy: -31.400
where: short stacking energy: -30.765
Base-Backbone interact. energy: 1.216
local terms energy: -61.611333
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -86.125320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.125320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.125320 (E_RNA)
where:
Base-Base interactions energy: -38.940
where: short stacking energy: -28.924
Base-Backbone interact. energy: 0.089
local terms energy: -47.274737
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -74.035720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.035720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.035720 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -29.138
Base-Backbone interact. energy: 4.226
local terms energy: -49.123872
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -238.125454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.125454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.125454 (E_RNA)
where:
Base-Base interactions energy: -158.036
where: short stacking energy: -74.768
Base-Backbone interact. energy: -0.262
local terms energy: -79.827528
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -227.407008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.407008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.407008 (E_RNA)
where:
Base-Base interactions energy: -157.434
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.265
local terms energy: -69.707308
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -10.304
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: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -197.996693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.996693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.996693 (E_RNA)
where:
Base-Base interactions energy: -122.006
where: short stacking energy: -62.050
Base-Backbone interact. energy: -1.318
local terms energy: -74.673364
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -193.848607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.848607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.848607 (E_RNA)
where:
Base-Base interactions energy: -128.202
where: short stacking energy: -64.613
Base-Backbone interact. energy: 1.089
local terms energy: -66.736214
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -15.344
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: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -183.602862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.602862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.602862 (E_RNA)
where:
Base-Base interactions energy: -115.447
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.062
local terms energy: -68.094354
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.270
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: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -97.197982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.197982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.197982 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -39.192
Base-Backbone interact. energy: -0.149
local terms energy: -56.253667
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -99.831634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831634 (E_RNA)
where:
Base-Base interactions energy: -41.243
where: short stacking energy: -33.206
Base-Backbone interact. energy: 0.613
local terms energy: -59.201328
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -86.242489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242489 (E_RNA)
where:
Base-Base interactions energy: -26.863
where: short stacking energy: -26.150
Base-Backbone interact. energy: -0.006
local terms energy: -59.373823
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -88.149017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.149017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.149017 (E_RNA)
where:
Base-Base interactions energy: -29.823
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.120
local terms energy: -58.206487
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -78.238480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.238480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.238480 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -31.922
Base-Backbone interact. energy: -1.151
local terms energy: -44.633882
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -6.600
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: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -239.449990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.449990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.449990 (E_RNA)
where:
Base-Base interactions energy: -165.270
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.289
local terms energy: -73.890296
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -242.407714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.407714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.407714 (E_RNA)
where:
Base-Base interactions energy: -160.619
where: short stacking energy: -73.138
Base-Backbone interact. energy: 0.718
local terms energy: -82.506537
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -222.313652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.313652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.313652 (E_RNA)
where:
Base-Base interactions energy: -137.308
where: short stacking energy: -72.824
Base-Backbone interact. energy: -1.712
local terms energy: -83.293496
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -24.072
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: 138
Temperature: 1.050000
Total energy: -198.316469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.316469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.316469 (E_RNA)
where:
Base-Base interactions energy: -114.797
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.093
local terms energy: -83.426712
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -188.793726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.793726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.793726 (E_RNA)
where:
Base-Base interactions energy: -116.923
where: short stacking energy: -57.816
Base-Backbone interact. energy: -0.128
local terms energy: -71.743440
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -123.377996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.377996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.377996 (E_RNA)
where:
Base-Base interactions energy: -60.433
where: short stacking energy: -53.114
Base-Backbone interact. energy: 2.996
local terms energy: -65.940731
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -9.189
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: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -114.263020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.263020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.263020 (E_RNA)
where:
Base-Base interactions energy: -47.512
where: short stacking energy: -47.512
Base-Backbone interact. energy: -0.036
local terms energy: -66.714410
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -100.320578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.320578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.320578 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -36.862
Base-Backbone interact. energy: 0.281
local terms energy: -62.855792
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -88.616083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.616083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.616083 (E_RNA)
where:
Base-Base interactions energy: -33.939
where: short stacking energy: -29.933
Base-Backbone interact. energy: 0.241
local terms energy: -54.918082
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -83.290906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.290906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.290906 (E_RNA)
where:
Base-Base interactions energy: -35.899
where: short stacking energy: -35.134
Base-Backbone interact. energy: 0.915
local terms energy: -48.306867
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -225.872941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.872941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.872941 (E_RNA)
where:
Base-Base interactions energy: -148.621
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.284
local terms energy: -76.968605
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -246.440046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.440046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.440046 (E_RNA)
where:
Base-Base interactions energy: -172.479
where: short stacking energy: -68.267
Base-Backbone interact. energy: 1.237
local terms energy: -75.197604
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -235.261808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.261808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.261808 (E_RNA)
where:
Base-Base interactions energy: -145.694
where: short stacking energy: -80.011
Base-Backbone interact. energy: -0.695
local terms energy: -88.872544
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -26.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -203.752237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.752237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.752237 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -60.993
Base-Backbone interact. energy: 0.333
local terms energy: -71.323486
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -205.358581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.358581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.358581 (E_RNA)
where:
Base-Base interactions energy: -134.240
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.047
local terms energy: -71.071813
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -15.663
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: 139
Temperature: 1.150000
Total energy: -116.197778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.197778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.197778 (E_RNA)
where:
Base-Base interactions energy: -45.420
where: short stacking energy: -45.420
Base-Backbone interact. energy: 0.062
local terms energy: -70.840075
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -146.622386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.622386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.622386 (E_RNA)
where:
Base-Base interactions energy: -86.351
where: short stacking energy: -41.449
Base-Backbone interact. energy: -0.788
local terms energy: -59.483929
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -99.702284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.702284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.702284 (E_RNA)
where:
Base-Base interactions energy: -43.876
where: short stacking energy: -37.526
Base-Backbone interact. energy: -1.121
local terms energy: -54.706032
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -98.036034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.036034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.036034 (E_RNA)
where:
Base-Base interactions energy: -46.872
where: short stacking energy: -26.128
Base-Backbone interact. energy: -0.126
local terms energy: -51.038064
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -80.822832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.822832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.822832 (E_RNA)
where:
Base-Base interactions energy: -29.499
where: short stacking energy: -26.330
Base-Backbone interact. energy: 0.665
local terms energy: -51.988368
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -1.331
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -236.782241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.782241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.782241 (E_RNA)
where:
Base-Base interactions energy: -158.037
where: short stacking energy: -69.500
Base-Backbone interact. energy: -0.613
local terms energy: -78.132199
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -240.570729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.570729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.570729 (E_RNA)
where:
Base-Base interactions energy: -160.884
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.236
local terms energy: -79.450519
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.813
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: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -192.195604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.195604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.195604 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.324
local terms energy: -75.177301
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -212.652472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.652472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.652472 (E_RNA)
where:
Base-Base interactions energy: -129.778
where: short stacking energy: -74.341
Base-Backbone interact. energy: -0.701
local terms energy: -82.173678
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -186.649552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.649552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.649552 (E_RNA)
where:
Base-Base interactions energy: -115.640
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.125
local terms energy: -70.883602
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -12.705
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: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -120.803408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.803408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.803408 (E_RNA)
where:
Base-Base interactions energy: -54.752
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.095
local terms energy: -65.955846
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -154.320186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.320186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.320186 (E_RNA)
where:
Base-Base interactions energy: -106.001
where: short stacking energy: -46.610
Base-Backbone interact. energy: 0.284
local terms energy: -48.602713
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -8.041
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -10.884
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: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -105.774038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.774038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.774038 (E_RNA)
where:
Base-Base interactions energy: -56.105
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.125
local terms energy: -49.543513
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -99.382378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.382378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.382378 (E_RNA)
where:
Base-Base interactions energy: -34.472
where: short stacking energy: -34.472
Base-Backbone interact. energy: -0.386
local terms energy: -64.524718
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -84.262133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.262133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.262133 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.105
Base-Backbone interact. energy: -0.470
local terms energy: -53.443891
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -5.434
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: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -250.831403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.831403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.831403 (E_RNA)
where:
Base-Base interactions energy: -164.568
where: short stacking energy: -76.535
Base-Backbone interact. energy: -0.300
local terms energy: -85.962720
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -241.215185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.215185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.215185 (E_RNA)
where:
Base-Base interactions energy: -159.181
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.402
local terms energy: -81.632233
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -19.600
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: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -215.898305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.898305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.898305 (E_RNA)
where:
Base-Base interactions energy: -142.087
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.031
local terms energy: -73.780696
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -204.150008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.150008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.150008 (E_RNA)
where:
Base-Base interactions energy: -128.782
where: short stacking energy: -50.956
Base-Backbone interact. energy: -0.365
local terms energy: -75.002367
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -205.129678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.129678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.129678 (E_RNA)
where:
Base-Base interactions energy: -122.560
where: short stacking energy: -72.007
Base-Backbone interact. energy: -0.022
local terms energy: -82.547578
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -140.206122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.206122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.206122 (E_RNA)
where:
Base-Base interactions energy: -68.157
where: short stacking energy: -39.808
Base-Backbone interact. energy: -0.196
local terms energy: -71.853191
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -115.782042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.782042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.782042 (E_RNA)
where:
Base-Base interactions energy: -48.762
where: short stacking energy: -31.322
Base-Backbone interact. energy: -0.174
local terms energy: -66.845959
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -86.747887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.747887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.747887 (E_RNA)
where:
Base-Base interactions energy: -31.568
where: short stacking energy: -22.090
Base-Backbone interact. energy: -0.060
local terms energy: -55.119508
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -79.054163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.054163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.054163 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -23.248
Base-Backbone interact. energy: -0.424
local terms energy: -42.820841
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -87.864327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864327 (E_RNA)
where:
Base-Base interactions energy: -33.133
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.387
local terms energy: -54.344811
where:
bonds (distance) C4'-P energy: -7.227
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -6.146
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: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -258.420770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.420770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.420770 (E_RNA)
where:
Base-Base interactions energy: -174.753
where: short stacking energy: -78.272
Base-Backbone interact. energy: -1.428
local terms energy: -82.239895
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -239.971289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.971289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.971289 (E_RNA)
where:
Base-Base interactions energy: -165.757
where: short stacking energy: -75.317
Base-Backbone interact. energy: -0.390
local terms energy: -73.824128
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -22.245
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: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -213.481775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.481775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.481775 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -60.005
Base-Backbone interact. energy: 0.084
local terms energy: -69.464035
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -8.730
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: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -213.292452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.292452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.292452 (E_RNA)
where:
Base-Base interactions energy: -141.757
where: short stacking energy: -54.661
Base-Backbone interact. energy: -1.132
local terms energy: -70.403240
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -207.461521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.461521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.461521 (E_RNA)
where:
Base-Base interactions energy: -119.730
where: short stacking energy: -64.162
Base-Backbone interact. energy: -1.810
local terms energy: -85.921083
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -158.458950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.458950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.458950 (E_RNA)
where:
Base-Base interactions energy: -90.350
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.096
local terms energy: -68.012801
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -6.320
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: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -100.245731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.245731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.245731 (E_RNA)
where:
Base-Base interactions energy: -38.402
where: short stacking energy: -38.132
Base-Backbone interact. energy: -1.359
local terms energy: -60.484794
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -90.438745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.438745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.438745 (E_RNA)
where:
Base-Base interactions energy: -38.238
where: short stacking energy: -36.733
Base-Backbone interact. energy: -0.616
local terms energy: -51.584615
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -84.677450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.677450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.677450 (E_RNA)
where:
Base-Base interactions energy: -35.077
where: short stacking energy: -33.850
Base-Backbone interact. energy: -1.450
local terms energy: -48.150632
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -9.384
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: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -78.078940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.078940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.078940 (E_RNA)
where:
Base-Base interactions energy: -28.975
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.077
local terms energy: -49.026647
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -254.231869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.231869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.231869 (E_RNA)
where:
Base-Base interactions energy: -172.483
where: short stacking energy: -75.645
Base-Backbone interact. energy: -0.837
local terms energy: -80.912446
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -13.804
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: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -244.746566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.746566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.746566 (E_RNA)
where:
Base-Base interactions energy: -168.252
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.606
local terms energy: -75.889126
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -213.520841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.520841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.520841 (E_RNA)
where:
Base-Base interactions energy: -143.095
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.022
local terms energy: -70.402955
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -209.956410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.956410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.956410 (E_RNA)
where:
Base-Base interactions energy: -132.701
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.105
local terms energy: -77.149880
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -197.236417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.236417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.236417 (E_RNA)
where:
Base-Base interactions energy: -119.507
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.296
local terms energy: -77.432991
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -167.304402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.304402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.304402 (E_RNA)
where:
Base-Base interactions energy: -111.550
where: short stacking energy: -47.178
Base-Backbone interact. energy: -0.259
local terms energy: -55.494869
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -5.729
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: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -104.538574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.538574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.538574 (E_RNA)
where:
Base-Base interactions energy: -52.037
where: short stacking energy: -48.359
Base-Backbone interact. energy: 0.274
local terms energy: -52.776315
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -122.038201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.038201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.038201 (E_RNA)
where:
Base-Base interactions energy: -54.047
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.004
local terms energy: -67.987540
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -9.795
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -82.987499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987499 (E_RNA)
where:
Base-Base interactions energy: -30.382
where: short stacking energy: -25.730
Base-Backbone interact. energy: -0.471
local terms energy: -52.134391
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -84.275117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.275117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.275117 (E_RNA)
where:
Base-Base interactions energy: -41.744
where: short stacking energy: -23.735
Base-Backbone interact. energy: -0.666
local terms energy: -41.864989
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -6.880
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -257.939847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.939847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.939847 (E_RNA)
where:
Base-Base interactions energy: -178.056
where: short stacking energy: -75.119
Base-Backbone interact. energy: -0.346
local terms energy: -79.537764
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -9.616
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: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -253.903528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.903528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.903528 (E_RNA)
where:
Base-Base interactions energy: -181.313
where: short stacking energy: -69.323
Base-Backbone interact. energy: -0.362
local terms energy: -72.227842
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -18.418
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: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -216.597923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.597923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.597923 (E_RNA)
where:
Base-Base interactions energy: -140.153
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.058
local terms energy: -76.387084
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -10.675
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: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -209.555438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.555438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.555438 (E_RNA)
where:
Base-Base interactions energy: -136.658
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.441
local terms energy: -72.456921
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -192.200834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.200834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.200834 (E_RNA)
where:
Base-Base interactions energy: -115.295
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.036
local terms energy: -76.870118
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -170.807659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.807659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.807659 (E_RNA)
where:
Base-Base interactions energy: -105.754
where: short stacking energy: -52.581
Base-Backbone interact. energy: -0.374
local terms energy: -64.679934
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -99.907723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.907723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.907723 (E_RNA)
where:
Base-Base interactions energy: -46.793
where: short stacking energy: -44.332
Base-Backbone interact. energy: -0.812
local terms energy: -52.302753
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -88.807504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.807504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.807504 (E_RNA)
where:
Base-Base interactions energy: -25.355
where: short stacking energy: -23.562
Base-Backbone interact. energy: -0.072
local terms energy: -63.380838
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -1.932
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: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -80.670992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.670992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.670992 (E_RNA)
where:
Base-Base interactions energy: -32.721
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.132
local terms energy: -47.818086
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -7.381
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: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -83.589932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.589932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.589932 (E_RNA)
where:
Base-Base interactions energy: -24.969
where: short stacking energy: -17.385
Base-Backbone interact. energy: -0.160
local terms energy: -58.461391
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: 2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -261.736426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.736426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.736426 (E_RNA)
where:
Base-Base interactions energy: -185.690
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.917
local terms energy: -75.129674
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -12.030
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -218.665623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.665623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.665623 (E_RNA)
where:
Base-Base interactions energy: -149.712
where: short stacking energy: -55.068
Base-Backbone interact. energy: -0.556
local terms energy: -68.396836
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -247.921391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.921391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.921391 (E_RNA)
where:
Base-Base interactions energy: -181.037
where: short stacking energy: -57.461
Base-Backbone interact. energy: 2.136
local terms energy: -69.020014
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -211.864700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.864700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.864700 (E_RNA)
where:
Base-Base interactions energy: -133.650
where: short stacking energy: -69.602
Base-Backbone interact. energy: -0.097
local terms energy: -78.117749
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -200.665754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.665754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.665754 (E_RNA)
where:
Base-Base interactions energy: -129.949
where: short stacking energy: -69.779
Base-Backbone interact. energy: -0.114
local terms energy: -70.602171
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.795
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: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -173.584946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.584946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.584946 (E_RNA)
where:
Base-Base interactions energy: -107.474
where: short stacking energy: -43.926
Base-Backbone interact. energy: 0.527
local terms energy: -66.637916
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -94.423616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.423616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.423616 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -40.335
Base-Backbone interact. energy: -0.171
local terms energy: -53.917579
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -4.955
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: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -90.872658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.872658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.872658 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -35.966
Base-Backbone interact. energy: -0.016
local terms energy: -54.890991
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -87.763565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.763565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.763565 (E_RNA)
where:
Base-Base interactions energy: -35.937
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.134
local terms energy: -51.692133
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -85.167938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.167938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.167938 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -14.549
Base-Backbone interact. energy: 0.240
local terms energy: -50.509711
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: 0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -248.191670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.191670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.191670 (E_RNA)
where:
Base-Base interactions energy: -165.041
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.572
local terms energy: -82.578983
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -19.850
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: 146
Temperature: 0.950000
Total energy: -229.700877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.700877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.700877 (E_RNA)
where:
Base-Base interactions energy: -154.124
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.287
local terms energy: -75.289645
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -247.758372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.758372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.758372 (E_RNA)
where:
Base-Base interactions energy: -167.044
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.737
local terms energy: -79.977545
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -189.966208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.966208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.966208 (E_RNA)
where:
Base-Base interactions energy: -116.359
where: short stacking energy: -53.704
Base-Backbone interact. energy: -0.441
local terms energy: -73.166640
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -11.064
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: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -181.186562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.186562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.186562 (E_RNA)
where:
Base-Base interactions energy: -111.348
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.229
local terms energy: -69.609156
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -174.173986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.173986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.173986 (E_RNA)
where:
Base-Base interactions energy: -100.503
where: short stacking energy: -45.453
Base-Backbone interact. energy: -0.036
local terms energy: -73.635024
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -12.993
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -93.710328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.710328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.710328 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.383
local terms energy: -56.668794
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -84.265191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265191 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -22.614
Base-Backbone interact. energy: -0.145
local terms energy: -54.613596
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -87.498270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.498270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.498270 (E_RNA)
where:
Base-Base interactions energy: -25.128
where: short stacking energy: -22.282
Base-Backbone interact. energy: -0.497
local terms energy: -61.873475
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -79.981892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.981892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.981892 (E_RNA)
where:
Base-Base interactions energy: -26.472
where: short stacking energy: -26.472
Base-Backbone interact. energy: -0.010
local terms energy: -53.500101
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: 4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -240.571367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.571367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.571367 (E_RNA)
where:
Base-Base interactions energy: -163.794
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.447
local terms energy: -76.330707
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -251.255262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.255262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.255262 (E_RNA)
where:
Base-Base interactions energy: -173.582
where: short stacking energy: -70.570
Base-Backbone interact. energy: -0.441
local terms energy: -77.231847
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -206.488523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.488523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.488523 (E_RNA)
where:
Base-Base interactions energy: -126.108
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.147
local terms energy: -80.232717
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -10.169
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: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -184.467814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.467814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.467814 (E_RNA)
where:
Base-Base interactions energy: -113.186
where: short stacking energy: -53.644
Base-Backbone interact. energy: -0.373
local terms energy: -70.909213
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -186.634942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.634942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.634942 (E_RNA)
where:
Base-Base interactions energy: -113.405
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.346
local terms energy: -72.883607
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -11.169
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: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -166.510098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.510098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.510098 (E_RNA)
where:
Base-Base interactions energy: -105.014
where: short stacking energy: -52.516
Base-Backbone interact. energy: -0.106
local terms energy: -61.390381
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -110.778704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.778704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.778704 (E_RNA)
where:
Base-Base interactions energy: -44.974
where: short stacking energy: -39.284
Base-Backbone interact. energy: -0.078
local terms energy: -65.726886
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -92.724245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.724245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.724245 (E_RNA)
where:
Base-Base interactions energy: -30.489
where: short stacking energy: -29.232
Base-Backbone interact. energy: -0.404
local terms energy: -61.831419
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.357
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: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -85.363371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.363371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.363371 (E_RNA)
where:
Base-Base interactions energy: -27.980
where: short stacking energy: -27.980
Base-Backbone interact. energy: -0.016
local terms energy: -57.367724
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -93.670422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.670422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.670422 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -34.544
Base-Backbone interact. energy: -0.094
local terms energy: -55.589655
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -257.884193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.884193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.884193 (E_RNA)
where:
Base-Base interactions energy: -186.973
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.079
local terms energy: -70.831962
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -11.263
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: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -250.246570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.246570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.246570 (E_RNA)
where:
Base-Base interactions energy: -167.383
where: short stacking energy: -74.713
Base-Backbone interact. energy: -0.299
local terms energy: -82.564246
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -215.251902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.251902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.251902 (E_RNA)
where:
Base-Base interactions energy: -137.022
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.021
local terms energy: -78.208661
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -12.550
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: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -198.076997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.076997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.076997 (E_RNA)
where:
Base-Base interactions energy: -134.056
where: short stacking energy: -61.288
Base-Backbone interact. energy: 0.283
local terms energy: -64.303223
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -5.982
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -183.054670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.054670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.054670 (E_RNA)
where:
Base-Base interactions energy: -117.443
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.225
local terms energy: -65.387119
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -158.500507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.500507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.500507 (E_RNA)
where:
Base-Base interactions energy: -93.076
where: short stacking energy: -49.974
Base-Backbone interact. energy: -0.079
local terms energy: -65.345596
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -95.030010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.030010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.030010 (E_RNA)
where:
Base-Base interactions energy: -42.471
where: short stacking energy: -40.647
Base-Backbone interact. energy: -0.090
local terms energy: -52.468992
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -97.994790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.994790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.994790 (E_RNA)
where:
Base-Base interactions energy: -36.346
where: short stacking energy: -36.346
Base-Backbone interact. energy: -1.125
local terms energy: -60.523134
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -89.341211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341211 (E_RNA)
where:
Base-Base interactions energy: -36.318
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.031
local terms energy: -52.991924
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -84.242912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.242912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.242912 (E_RNA)
where:
Base-Base interactions energy: -26.543
where: short stacking energy: -25.486
Base-Backbone interact. energy: -0.033
local terms energy: -57.666910
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -239.944583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.944583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.944583 (E_RNA)
where:
Base-Base interactions energy: -157.751
where: short stacking energy: -63.978
Base-Backbone interact. energy: 0.331
local terms energy: -82.524581
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -243.481541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.481541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.481541 (E_RNA)
where:
Base-Base interactions energy: -162.447
where: short stacking energy: -77.380
Base-Backbone interact. energy: -0.402
local terms energy: -80.633217
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -204.662445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.662445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.662445 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.522
local terms energy: -70.750340
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -200.062732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.062732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.062732 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -56.779
Base-Backbone interact. energy: -0.186
local terms energy: -70.946209
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.317
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: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -192.900017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.900017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.900017 (E_RNA)
where:
Base-Base interactions energy: -123.540
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.338
local terms energy: -69.022159
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -101.535341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.535341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.535341 (E_RNA)
where:
Base-Base interactions energy: -38.550
where: short stacking energy: -38.206
Base-Backbone interact. energy: -0.035
local terms energy: -62.950297
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -1.765
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: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -137.256675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.256675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.256675 (E_RNA)
where:
Base-Base interactions energy: -74.321
where: short stacking energy: -38.201
Base-Backbone interact. energy: -0.405
local terms energy: -62.530173
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -13.238
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: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -88.459848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.459848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.459848 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -36.457
Base-Backbone interact. energy: -0.140
local terms energy: -51.531133
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -85.920505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.920505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.920505 (E_RNA)
where:
Base-Base interactions energy: -32.239
where: short stacking energy: -27.273
Base-Backbone interact. energy: -0.352
local terms energy: -53.329840
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -96.488056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.488056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.488056 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -29.151
Base-Backbone interact. energy: -1.336
local terms energy: -65.522568
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -12.741
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: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -244.318373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.318373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.318373 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -79.451
Base-Backbone interact. energy: -0.263
local terms energy: -88.357650
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -241.259184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.259184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.259184 (E_RNA)
where:
Base-Base interactions energy: -154.708
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.238
local terms energy: -86.313468
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -11.257
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: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -210.198127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.198127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.198127 (E_RNA)
where:
Base-Base interactions energy: -139.250
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.196
local terms energy: -70.751908
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -210.236636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.236636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.236636 (E_RNA)
where:
Base-Base interactions energy: -139.581
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.322
local terms energy: -70.332821
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -213.473777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.473777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.473777 (E_RNA)
where:
Base-Base interactions energy: -145.530
where: short stacking energy: -60.731
Base-Backbone interact. energy: -0.025
local terms energy: -67.918813
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -13.405
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: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -95.295105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.295105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.295105 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -29.231
Base-Backbone interact. energy: -1.739
local terms energy: -63.300258
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -150.090047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.090047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.090047 (E_RNA)
where:
Base-Base interactions energy: -91.015
where: short stacking energy: -42.119
Base-Backbone interact. energy: -0.164
local terms energy: -58.910930
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -108.186071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.186071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.186071 (E_RNA)
where:
Base-Base interactions energy: -48.776
where: short stacking energy: -44.208
Base-Backbone interact. energy: -0.102
local terms energy: -59.307502
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -9.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -82.375187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.375187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.375187 (E_RNA)
where:
Base-Base interactions energy: -25.312
where: short stacking energy: -26.498
Base-Backbone interact. energy: -0.043
local terms energy: -57.019327
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -80.950972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.950972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.950972 (E_RNA)
where:
Base-Base interactions energy: -24.130
where: short stacking energy: -19.028
Base-Backbone interact. energy: -0.431
local terms energy: -56.389940
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -247.170162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.170162 (E_RNA)
where:
Base-Base interactions energy: -161.433
where: short stacking energy: -64.163
Base-Backbone interact. energy: -0.451
local terms energy: -85.285632
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -251.565827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.565827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.565827 (E_RNA)
where:
Base-Base interactions energy: -175.103
where: short stacking energy: -72.179
Base-Backbone interact. energy: -0.450
local terms energy: -76.012481
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -18.079
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: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -202.154941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.154941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.154941 (E_RNA)
where:
Base-Base interactions energy: -120.193
where: short stacking energy: -74.881
Base-Backbone interact. energy: -0.025
local terms energy: -81.936619
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.590
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: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -209.981504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.981504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.981504 (E_RNA)
where:
Base-Base interactions energy: -135.469
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.237
local terms energy: -74.275686
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -185.849925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.849925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.849925 (E_RNA)
where:
Base-Base interactions energy: -120.188
where: short stacking energy: -58.550
Base-Backbone interact. energy: 1.355
local terms energy: -67.017345
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -10.085
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: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -171.979249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.979249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.979249 (E_RNA)
where:
Base-Base interactions energy: -102.456
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.070
local terms energy: -69.452684
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -97.565065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.565065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.565065 (E_RNA)
where:
Base-Base interactions energy: -40.074
where: short stacking energy: -22.142
Base-Backbone interact. energy: -0.170
local terms energy: -57.321128
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.278
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: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -93.735049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.735049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.735049 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -35.159
Base-Backbone interact. energy: -0.190
local terms energy: -55.735154
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -83.551873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.551873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.551873 (E_RNA)
where:
Base-Base interactions energy: -27.166
where: short stacking energy: -27.166
Base-Backbone interact. energy: 0.816
local terms energy: -57.201690
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -88.530856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.530856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.530856 (E_RNA)
where:
Base-Base interactions energy: -36.419
where: short stacking energy: -24.099
Base-Backbone interact. energy: -0.138
local terms energy: -51.973915
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -240.386143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.386143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.386143 (E_RNA)
where:
Base-Base interactions energy: -162.822
where: short stacking energy: -68.502
Base-Backbone interact. energy: -0.026
local terms energy: -77.538104
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -239.003250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.003250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.003250 (E_RNA)
where:
Base-Base interactions energy: -153.322
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.101
local terms energy: -85.580593
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -21.633
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: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -224.509817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.509817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.509817 (E_RNA)
where:
Base-Base interactions energy: -153.162
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.148
local terms energy: -71.200184
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -15.720
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: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -199.125403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.125403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.125403 (E_RNA)
where:
Base-Base interactions energy: -120.167
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.308
local terms energy: -78.650111
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -166.935269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.935269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.935269 (E_RNA)
where:
Base-Base interactions energy: -98.623
where: short stacking energy: -51.982
Base-Backbone interact. energy: 2.004
local terms energy: -70.316146
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -184.449033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.449033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.449033 (E_RNA)
where:
Base-Base interactions energy: -125.623
where: short stacking energy: -49.857
Base-Backbone interact. energy: -0.687
local terms energy: -58.139409
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -101.610710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.610710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.610710 (E_RNA)
where:
Base-Base interactions energy: -38.217
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.126
local terms energy: -63.267679
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -95.805765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.805765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.805765 (E_RNA)
where:
Base-Base interactions energy: -39.002
where: short stacking energy: -39.002
Base-Backbone interact. energy: -0.058
local terms energy: -56.746137
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -86.292721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.292721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.292721 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -32.082
Base-Backbone interact. energy: 0.102
local terms energy: -53.082655
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -86.661450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.661450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.661450 (E_RNA)
where:
Base-Base interactions energy: -32.587
where: short stacking energy: -22.302
Base-Backbone interact. energy: -0.223
local terms energy: -53.851147
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -241.917091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.917091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.917091 (E_RNA)
where:
Base-Base interactions energy: -163.746
where: short stacking energy: -66.916
Base-Backbone interact. energy: -0.512
local terms energy: -77.659285
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -233.597466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.597466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.597466 (E_RNA)
where:
Base-Base interactions energy: -153.452
where: short stacking energy: -67.894
Base-Backbone interact. energy: -1.461
local terms energy: -78.684375
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -20.577
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: 153
Temperature: 1.000000
Total energy: -227.549265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.549265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.549265 (E_RNA)
where:
Base-Base interactions energy: -146.318
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.205
local terms energy: -81.025721
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -190.866877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.866877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.866877 (E_RNA)
where:
Base-Base interactions energy: -128.085
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.302
local terms energy: -62.479948
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -3.774
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: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -189.270044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.270044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.270044 (E_RNA)
where:
Base-Base interactions energy: -125.732
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.239
local terms energy: -63.298699
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -151.056396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.056396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.056396 (E_RNA)
where:
Base-Base interactions energy: -90.737
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.002
local terms energy: -60.317409
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -175.201471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.201471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.201471 (E_RNA)
where:
Base-Base interactions energy: -113.257
where: short stacking energy: -50.181
Base-Backbone interact. energy: -0.009
local terms energy: -61.935624
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -5.595
flat angles P-C4'-P energy: -12.897
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: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -95.871120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.871120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.871120 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -33.343
Base-Backbone interact. energy: 1.374
local terms energy: -63.901814
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -85.426671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426671 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -31.776
Base-Backbone interact. energy: -0.167
local terms energy: -50.523678
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -2.787
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: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -78.420257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.420257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.420257 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -26.094
Base-Backbone interact. energy: 1.383
local terms energy: -52.518191
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: 0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -240.946194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.946194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.946194 (E_RNA)
where:
Base-Base interactions energy: -164.860
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.293
local terms energy: -75.793427
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -243.882384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.882384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.882384 (E_RNA)
where:
Base-Base interactions energy: -156.740
where: short stacking energy: -76.965
Base-Backbone interact. energy: -2.409
local terms energy: -84.732981
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -233.035538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.035538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.035538 (E_RNA)
where:
Base-Base interactions energy: -162.074
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.093
local terms energy: -70.869088
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.269
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: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -204.114467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.114467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.114467 (E_RNA)
where:
Base-Base interactions energy: -127.391
where: short stacking energy: -61.119
Base-Backbone interact. energy: -1.182
local terms energy: -75.541252
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -188.366320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.366320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.366320 (E_RNA)
where:
Base-Base interactions energy: -124.373
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.002
local terms energy: -63.990780
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -130.880085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.880085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.880085 (E_RNA)
where:
Base-Base interactions energy: -76.222
where: short stacking energy: -45.623
Base-Backbone interact. energy: -0.260
local terms energy: -54.398366
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -6.566
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -92.558259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.558259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.558259 (E_RNA)
where:
Base-Base interactions energy: -37.332
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.269
local terms energy: -54.957658
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -139.289812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.289812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.289812 (E_RNA)
where:
Base-Base interactions energy: -81.865
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.428
local terms energy: -56.996623
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -9.427
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: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -98.866517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.866517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.866517 (E_RNA)
where:
Base-Base interactions energy: -42.185
where: short stacking energy: -29.509
Base-Backbone interact. energy: 0.279
local terms energy: -56.960172
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -6.550
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: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -80.174617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.174617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.174617 (E_RNA)
where:
Base-Base interactions energy: -32.298
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.104
local terms energy: -47.773295
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -8.423
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -246.747720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.747720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.747720 (E_RNA)
where:
Base-Base interactions energy: -172.096
where: short stacking energy: -67.491
Base-Backbone interact. energy: 0.383
local terms energy: -75.034620
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -18.838
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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -233.501924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.501924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.501924 (E_RNA)
where:
Base-Base interactions energy: -152.417
where: short stacking energy: -71.833
Base-Backbone interact. energy: 0.804
local terms energy: -81.889206
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -247.528443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.528443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.528443 (E_RNA)
where:
Base-Base interactions energy: -170.183
where: short stacking energy: -81.795
Base-Backbone interact. energy: 1.044
local terms energy: -78.388909
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -184.698893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.698893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.698893 (E_RNA)
where:
Base-Base interactions energy: -115.031
where: short stacking energy: -50.175
Base-Backbone interact. energy: -0.227
local terms energy: -69.440838
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -16.129
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: 155
Temperature: 1.100000
Total energy: -195.850384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.850384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.850384 (E_RNA)
where:
Base-Base interactions energy: -120.561
where: short stacking energy: -58.899
Base-Backbone interact. energy: -0.005
local terms energy: -75.284470
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.188
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: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -92.618005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.618005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.618005 (E_RNA)
where:
Base-Base interactions energy: -38.063
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.366
local terms energy: -54.189105
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -131.900061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.900061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.900061 (E_RNA)
where:
Base-Base interactions energy: -61.820
where: short stacking energy: -37.338
Base-Backbone interact. energy: 0.617
local terms energy: -70.697482
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -85.397967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.397967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.397967 (E_RNA)
where:
Base-Base interactions energy: -32.865
where: short stacking energy: -30.717
Base-Backbone interact. energy: -0.040
local terms energy: -52.492282
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -98.025859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.025859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.025859 (E_RNA)
where:
Base-Base interactions energy: -43.299
where: short stacking energy: -36.658
Base-Backbone interact. energy: 0.105
local terms energy: -54.831517
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -4.249
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: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -88.242762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.242762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.242762 (E_RNA)
where:
Base-Base interactions energy: -40.803
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.216
local terms energy: -47.224277
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: 2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -245.771586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.771586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.771586 (E_RNA)
where:
Base-Base interactions energy: -169.918
where: short stacking energy: -67.911
Base-Backbone interact. energy: -0.441
local terms energy: -75.412176
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -235.754528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.754528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.754528 (E_RNA)
where:
Base-Base interactions energy: -156.834
where: short stacking energy: -76.880
Base-Backbone interact. energy: -0.256
local terms energy: -78.664342
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -229.206115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.206115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.206115 (E_RNA)
where:
Base-Base interactions energy: -150.843
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.203
local terms energy: -78.159800
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -20.394
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: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -181.534781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.534781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.534781 (E_RNA)
where:
Base-Base interactions energy: -104.024
where: short stacking energy: -44.960
Base-Backbone interact. energy: -0.186
local terms energy: -77.324536
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -10.904
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -193.999295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.999295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.999295 (E_RNA)
where:
Base-Base interactions energy: -116.832
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.069
local terms energy: -77.098545
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -113.946016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.946016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.946016 (E_RNA)
where:
Base-Base interactions energy: -54.617
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.015
local terms energy: -59.314525
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -92.679942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.679942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.679942 (E_RNA)
where:
Base-Base interactions energy: -40.824
where: short stacking energy: -28.763
Base-Backbone interact. energy: -0.108
local terms energy: -51.748167
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -99.046391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.046391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.046391 (E_RNA)
where:
Base-Base interactions energy: -41.572
where: short stacking energy: -32.630
Base-Backbone interact. energy: -0.107
local terms energy: -57.367244
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -87.703874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.703874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.703874 (E_RNA)
where:
Base-Base interactions energy: -30.446
where: short stacking energy: -29.169
Base-Backbone interact. energy: -0.152
local terms energy: -57.105799
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -1.477
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: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -76.109123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.109123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.109123 (E_RNA)
where:
Base-Base interactions energy: -28.355
where: short stacking energy: -21.524
Base-Backbone interact. energy: 0.107
local terms energy: -47.860561
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -9.822
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: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -241.505408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.505408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.505408 (E_RNA)
where:
Base-Base interactions energy: -163.007
where: short stacking energy: -71.108
Base-Backbone interact. energy: -1.040
local terms energy: -77.458630
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -20.932
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: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -241.377909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.377909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.377909 (E_RNA)
where:
Base-Base interactions energy: -160.469
where: short stacking energy: -75.174
Base-Backbone interact. energy: -0.489
local terms energy: -80.418978
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -230.561296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.561296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.561296 (E_RNA)
where:
Base-Base interactions energy: -154.956
where: short stacking energy: -64.017
Base-Backbone interact. energy: -0.247
local terms energy: -75.358416
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -202.661788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.661788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.661788 (E_RNA)
where:
Base-Base interactions energy: -131.348
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.081
local terms energy: -71.233257
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -170.087486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.087486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.087486 (E_RNA)
where:
Base-Base interactions energy: -101.001
where: short stacking energy: -49.043
Base-Backbone interact. energy: 0.150
local terms energy: -69.237140
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -109.710599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.710599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.710599 (E_RNA)
where:
Base-Base interactions energy: -46.758
where: short stacking energy: -46.663
Base-Backbone interact. energy: -0.030
local terms energy: -62.922243
where:
bonds (distance) C4'-P energy: -3.175
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -112.415202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.415202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.415202 (E_RNA)
where:
Base-Base interactions energy: -53.751
where: short stacking energy: -35.257
Base-Backbone interact. energy: -1.285
local terms energy: -57.379127
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -103.000107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.000107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.000107 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -35.283
Base-Backbone interact. energy: -0.303
local terms energy: -66.111180
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -9.191
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: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -91.122113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.122113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.122113 (E_RNA)
where:
Base-Base interactions energy: -42.672
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.103
local terms energy: -48.347360
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -100.915221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.915221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.915221 (E_RNA)
where:
Base-Base interactions energy: -42.856
where: short stacking energy: -42.856
Base-Backbone interact. energy: -0.029
local terms energy: -58.030300
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -245.510856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.510856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.510856 (E_RNA)
where:
Base-Base interactions energy: -164.175
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.919
local terms energy: -80.417310
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -242.079438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.079438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.079438 (E_RNA)
where:
Base-Base interactions energy: -156.876
where: short stacking energy: -68.456
Base-Backbone interact. energy: -0.544
local terms energy: -84.658710
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -203.563840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.563840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.563840 (E_RNA)
where:
Base-Base interactions energy: -127.686
where: short stacking energy: -57.519
Base-Backbone interact. energy: -0.319
local terms energy: -75.559192
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -240.056105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.056105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.056105 (E_RNA)
where:
Base-Base interactions energy: -163.743
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.430
local terms energy: -75.883193
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -111.146287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.146287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.146287 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -47.700
Base-Backbone interact. energy: -0.079
local terms energy: -61.565441
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -159.766387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.766387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.766387 (E_RNA)
where:
Base-Base interactions energy: -92.338
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.150
local terms energy: -67.278420
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -122.317416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.317416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.317416 (E_RNA)
where:
Base-Base interactions energy: -63.491
where: short stacking energy: -49.324
Base-Backbone interact. energy: 0.690
local terms energy: -59.516385
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -7.145
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: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -88.799058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.799058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.799058 (E_RNA)
where:
Base-Base interactions energy: -42.213
where: short stacking energy: -42.213
Base-Backbone interact. energy: -0.092
local terms energy: -46.494786
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -4.222
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: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -90.199472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.199472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.199472 (E_RNA)
where:
Base-Base interactions energy: -53.154
where: short stacking energy: -21.344
Base-Backbone interact. energy: -0.006
local terms energy: -37.039420
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: 0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -80.212821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.212821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.212821 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -20.396
Base-Backbone interact. energy: -0.956
local terms energy: -50.576754
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -248.897067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.897067 (E_RNA)
where:
Base-Base interactions energy: -163.385
where: short stacking energy: -62.999
Base-Backbone interact. energy: -0.630
local terms energy: -84.882140
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -221.113820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.113820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.113820 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -69.818
Base-Backbone interact. energy: -0.073
local terms energy: -74.110326
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -221.341633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.341633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.341633 (E_RNA)
where:
Base-Base interactions energy: -147.273
where: short stacking energy: -61.082
Base-Backbone interact. energy: -1.190
local terms energy: -72.878714
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -238.844399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.844399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.844399 (E_RNA)
where:
Base-Base interactions energy: -156.177
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.282
local terms energy: -82.385836
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -104.066462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.066462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.066462 (E_RNA)
where:
Base-Base interactions energy: -46.894
where: short stacking energy: -46.894
Base-Backbone interact. energy: -0.015
local terms energy: -57.158136
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -203.023436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.023436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.023436 (E_RNA)
where:
Base-Base interactions energy: -132.715
where: short stacking energy: -45.098
Base-Backbone interact. energy: -0.578
local terms energy: -69.730047
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -101.992244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.992244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.992244 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -34.940
Base-Backbone interact. energy: -0.239
local terms energy: -59.553049
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -7.840
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: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -89.835829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.835829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.835829 (E_RNA)
where:
Base-Base interactions energy: -39.985
where: short stacking energy: -33.414
Base-Backbone interact. energy: -0.220
local terms energy: -49.631581
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -8.954
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -13.511
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: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -86.340738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.340738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.340738 (E_RNA)
where:
Base-Base interactions energy: -28.750
where: short stacking energy: -27.297
Base-Backbone interact. energy: -0.101
local terms energy: -57.490039
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -10.522
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: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -85.764008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.764008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.764008 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.076
local terms energy: -45.976305
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -249.762288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.762288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.762288 (E_RNA)
where:
Base-Base interactions energy: -162.527
where: short stacking energy: -76.706
Base-Backbone interact. energy: -0.605
local terms energy: -86.630537
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -217.900762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.900762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.900762 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -69.516
Base-Backbone interact. energy: -0.045
local terms energy: -80.345922
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -12.233
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: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -244.121228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.121228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.121228 (E_RNA)
where:
Base-Base interactions energy: -169.232
where: short stacking energy: -73.847
Base-Backbone interact. energy: -0.225
local terms energy: -74.664481
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -9.340
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: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -229.105395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105395 (E_RNA)
where:
Base-Base interactions energy: -161.630
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.335
local terms energy: -67.140173
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -17.197
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: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -204.318036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.318036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.318036 (E_RNA)
where:
Base-Base interactions energy: -138.066
where: short stacking energy: -57.085
Base-Backbone interact. energy: -0.136
local terms energy: -66.116134
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -102.959753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.959753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.959753 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -38.418
Base-Backbone interact. energy: -0.062
local terms energy: -62.397732
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -109.028939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.028939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.028939 (E_RNA)
where:
Base-Base interactions energy: -49.736
where: short stacking energy: -39.845
Base-Backbone interact. energy: -0.100
local terms energy: -59.193112
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -96.074742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.074742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.074742 (E_RNA)
where:
Base-Base interactions energy: -38.191
where: short stacking energy: -38.191
Base-Backbone interact. energy: -0.184
local terms energy: -57.699504
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -3.372
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: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -93.805753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.805753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.805753 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -36.599
Base-Backbone interact. energy: -0.253
local terms energy: -53.963255
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -82.756527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.756527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.756527 (E_RNA)
where:
Base-Base interactions energy: -28.893
where: short stacking energy: -28.893
Base-Backbone interact. energy: -0.255
local terms energy: -53.608354
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -4.762
flat angles P-C4'-P energy: -7.930
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: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -241.705857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.705857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.705857 (E_RNA)
where:
Base-Base interactions energy: -164.264
where: short stacking energy: -79.478
Base-Backbone interact. energy: -1.081
local terms energy: -76.361027
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -248.552969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.552969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.552969 (E_RNA)
where:
Base-Base interactions energy: -168.644
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.121
local terms energy: -79.787569
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -196.690654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.690654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.690654 (E_RNA)
where:
Base-Base interactions energy: -120.491
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.058
local terms energy: -76.141372
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -224.230600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.230600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.230600 (E_RNA)
where:
Base-Base interactions energy: -149.926
where: short stacking energy: -58.610
Base-Backbone interact. energy: 0.546
local terms energy: -74.850737
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -10.618
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: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -224.400729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.400729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.400729 (E_RNA)
where:
Base-Base interactions energy: -145.246
where: short stacking energy: -59.998
Base-Backbone interact. energy: -0.766
local terms energy: -78.388994
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -103.715549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.715549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.715549 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.121
local terms energy: -65.296831
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -13.190
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: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -111.786054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.786054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.786054 (E_RNA)
where:
Base-Base interactions energy: -55.826
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.752
local terms energy: -55.207419
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -5.573
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: 161
Temperature: 1.250000
Total energy: -107.071735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.071735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.071735 (E_RNA)
where:
Base-Base interactions energy: -50.680
where: short stacking energy: -34.694
Base-Backbone interact. energy: 0.557
local terms energy: -56.948557
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -90.017509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.017509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.017509 (E_RNA)
where:
Base-Base interactions energy: -39.719
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.225
local terms energy: -50.073185
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -3.743
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: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -83.295304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.295304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.295304 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -23.648
Base-Backbone interact. energy: -0.407
local terms energy: -49.061044
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: 3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -247.469809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.469809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.469809 (E_RNA)
where:
Base-Base interactions energy: -175.480
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.760
local terms energy: -71.229641
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -13.520
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: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -236.248837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.248837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.248837 (E_RNA)
where:
Base-Base interactions energy: -157.350
where: short stacking energy: -65.190
Base-Backbone interact. energy: 0.667
local terms energy: -79.565641
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -240.673882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.673882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.673882 (E_RNA)
where:
Base-Base interactions energy: -169.089
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.327
local terms energy: -71.258295
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -192.032472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.032472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.032472 (E_RNA)
where:
Base-Base interactions energy: -119.917
where: short stacking energy: -66.182
Base-Backbone interact. energy: -0.008
local terms energy: -72.108295
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -232.192126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.192126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.192126 (E_RNA)
where:
Base-Base interactions energy: -159.665
where: short stacking energy: -77.822
Base-Backbone interact. energy: 0.194
local terms energy: -72.721033
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -106.095427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.095427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.095427 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -35.126
Base-Backbone interact. energy: -0.142
local terms energy: -68.463554
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.875
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: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -95.561792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.561792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.561792 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -31.623
Base-Backbone interact. energy: -0.248
local terms energy: -56.065749
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -99.992049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.992049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.992049 (E_RNA)
where:
Base-Base interactions energy: -34.511
where: short stacking energy: -34.511
Base-Backbone interact. energy: -0.013
local terms energy: -65.468323
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.591
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: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -89.507820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.507820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.507820 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.329
local terms energy: -52.536815
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -95.618070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.618070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.618070 (E_RNA)
where:
Base-Base interactions energy: -44.947
where: short stacking energy: -24.751
Base-Backbone interact. energy: -0.290
local terms energy: -50.380641
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -245.629769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.629769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.629769 (E_RNA)
where:
Base-Base interactions energy: -170.652
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.347
local terms energy: -74.630429
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -255.691530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.691530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.691530 (E_RNA)
where:
Base-Base interactions energy: -182.834
where: short stacking energy: -67.559
Base-Backbone interact. energy: 0.910
local terms energy: -73.768254
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -239.820743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.820743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.820743 (E_RNA)
where:
Base-Base interactions energy: -160.691
where: short stacking energy: -64.680
Base-Backbone interact. energy: -1.450
local terms energy: -77.680039
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -221.756503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.756503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.756503 (E_RNA)
where:
Base-Base interactions energy: -150.964
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.614
local terms energy: -70.178366
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -175.785993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.785993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.785993 (E_RNA)
where:
Base-Base interactions energy: -111.533
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.456
local terms energy: -63.797172
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -118.980304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.980304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.980304 (E_RNA)
where:
Base-Base interactions energy: -62.089
where: short stacking energy: -43.360
Base-Backbone interact. energy: 1.117
local terms energy: -58.008594
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -5.306
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: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -112.982890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.982890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.982890 (E_RNA)
where:
Base-Base interactions energy: -61.387
where: short stacking energy: -34.971
Base-Backbone interact. energy: -0.223
local terms energy: -51.372968
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -100.301510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.301510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.301510 (E_RNA)
where:
Base-Base interactions energy: -40.939
where: short stacking energy: -41.015
Base-Backbone interact. energy: -0.317
local terms energy: -59.045815
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -82.778970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.778970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.778970 (E_RNA)
where:
Base-Base interactions energy: -30.369
where: short stacking energy: -27.963
Base-Backbone interact. energy: -0.176
local terms energy: -52.234102
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -76.937197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.937197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.937197 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -23.996
Base-Backbone interact. energy: -0.425
local terms energy: -42.586372
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -3.781
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -263.446682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.446682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.446682 (E_RNA)
where:
Base-Base interactions energy: -189.560
where: short stacking energy: -69.662
Base-Backbone interact. energy: -0.534
local terms energy: -73.353040
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -9.649
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: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -238.730228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.730228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.730228 (E_RNA)
where:
Base-Base interactions energy: -161.250
where: short stacking energy: -64.666
Base-Backbone interact. energy: -0.107
local terms energy: -77.373042
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -253.589120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.589120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.589120 (E_RNA)
where:
Base-Base interactions energy: -180.355
where: short stacking energy: -75.606
Base-Backbone interact. energy: -0.275
local terms energy: -72.959247
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -19.010
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: 164
Temperature: 1.050000
Total energy: -233.763678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.763678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.763678 (E_RNA)
where:
Base-Base interactions energy: -154.888
where: short stacking energy: -75.540
Base-Backbone interact. energy: -1.166
local terms energy: -77.709452
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -163.988715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.988715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.988715 (E_RNA)
where:
Base-Base interactions energy: -95.512
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.824
local terms energy: -67.652021
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -125.984579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.984579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.984579 (E_RNA)
where:
Base-Base interactions energy: -68.144
where: short stacking energy: -42.052
Base-Backbone interact. energy: -0.005
local terms energy: -57.835305
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -2.955
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: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -149.714100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.714100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.714100 (E_RNA)
where:
Base-Base interactions energy: -81.925
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.018
local terms energy: -67.771257
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -99.753905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.753905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.753905 (E_RNA)
where:
Base-Base interactions energy: -50.082
where: short stacking energy: -28.206
Base-Backbone interact. energy: -0.552
local terms energy: -49.120476
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: 0.984
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: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -90.521070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.521070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.521070 (E_RNA)
where:
Base-Base interactions energy: -27.309
where: short stacking energy: -23.988
Base-Backbone interact. energy: -0.297
local terms energy: -62.915308
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -12.825
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: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -78.023273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.023273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.023273 (E_RNA)
where:
Base-Base interactions energy: -25.027
where: short stacking energy: -21.728
Base-Backbone interact. energy: -0.107
local terms energy: -52.889920
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -261.245584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.245584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.245584 (E_RNA)
where:
Base-Base interactions energy: -186.315
where: short stacking energy: -67.864
Base-Backbone interact. energy: -0.807
local terms energy: -74.123639
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -246.492120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.492120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.492120 (E_RNA)
where:
Base-Base interactions energy: -168.866
where: short stacking energy: -72.123
Base-Backbone interact. energy: 0.602
local terms energy: -78.227633
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -236.235238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.235238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.235238 (E_RNA)
where:
Base-Base interactions energy: -162.651
where: short stacking energy: -65.558
Base-Backbone interact. energy: -0.662
local terms energy: -72.922302
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -15.337
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: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -228.133213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.133213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.133213 (E_RNA)
where:
Base-Base interactions energy: -157.888
where: short stacking energy: -74.215
Base-Backbone interact. energy: -0.377
local terms energy: -69.868248
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -12.892
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: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -169.686641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.686641 (E_RNA)
where:
Base-Base interactions energy: -101.476
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.125
local terms energy: -68.085014
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -8.554
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: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -188.270929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.270929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.270929 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.058
local terms energy: -70.531403
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -125.789221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.789221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.789221 (E_RNA)
where:
Base-Base interactions energy: -67.299
where: short stacking energy: -37.645
Base-Backbone interact. energy: 0.430
local terms energy: -58.919984
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -89.505479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505479 (E_RNA)
where:
Base-Base interactions energy: -42.341
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.524
local terms energy: -46.640185
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -0.610
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: 165
Temperature: 1.300000
Total energy: -95.221875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.221875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.221875 (E_RNA)
where:
Base-Base interactions energy: -30.415
where: short stacking energy: -25.418
Base-Backbone interact. energy: -0.038
local terms energy: -64.769407
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -7.309
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -8.067
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: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -87.950047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.950047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.950047 (E_RNA)
where:
Base-Base interactions energy: -25.784
where: short stacking energy: -23.959
Base-Backbone interact. energy: 0.610
local terms energy: -62.776119
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -8.946
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: 166
Temperature: 0.900000
Total energy: -242.615740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.615740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.615740 (E_RNA)
where:
Base-Base interactions energy: -162.010
where: short stacking energy: -78.936
Base-Backbone interact. energy: -0.057
local terms energy: -80.548572
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -19.534
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: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -259.057585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.057585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.057585 (E_RNA)
where:
Base-Base interactions energy: -187.856
where: short stacking energy: -54.420
Base-Backbone interact. energy: -1.146
local terms energy: -70.055561
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -12.497
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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -235.990481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.990481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.990481 (E_RNA)
where:
Base-Base interactions energy: -151.809
where: short stacking energy: -73.850
Base-Backbone interact. energy: -0.397
local terms energy: -83.784343
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -216.792643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.792643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.792643 (E_RNA)
where:
Base-Base interactions energy: -145.891
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.249
local terms energy: -70.652784
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -197.993833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.993833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.993833 (E_RNA)
where:
Base-Base interactions energy: -123.310
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.102
local terms energy: -74.582296
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -20.038
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: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -175.201754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.201754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.201754 (E_RNA)
where:
Base-Base interactions energy: -104.035
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.065
local terms energy: -71.102554
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -96.439221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439221 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -36.206
Base-Backbone interact. energy: -0.095
local terms energy: -56.726499
where:
bonds (distance) C4'-P energy: -8.267
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -123.290082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.290082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.290082 (E_RNA)
where:
Base-Base interactions energy: -57.749
where: short stacking energy: -35.820
Base-Backbone interact. energy: -0.062
local terms energy: -65.479134
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -7.526
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: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -93.340269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.340269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.340269 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -28.913
Base-Backbone interact. energy: -0.358
local terms energy: -63.317702
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.700
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: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -88.270912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.270912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.270912 (E_RNA)
where:
Base-Base interactions energy: -25.820
where: short stacking energy: -25.820
Base-Backbone interact. energy: -0.097
local terms energy: -62.353537
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -239.347969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.347969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.347969 (E_RNA)
where:
Base-Base interactions energy: -159.867
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.137
local terms energy: -79.344347
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -238.079815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.079815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.079815 (E_RNA)
where:
Base-Base interactions energy: -161.531
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.292
local terms energy: -76.256598
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -234.945635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.945635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.945635 (E_RNA)
where:
Base-Base interactions energy: -161.693
where: short stacking energy: -66.356
Base-Backbone interact. energy: -1.690
local terms energy: -71.562521
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.908
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: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -191.041893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.041893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.041893 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.033
local terms energy: -74.269994
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -228.042154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.042154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.042154 (E_RNA)
where:
Base-Base interactions energy: -161.147
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.625
local terms energy: -66.270052
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -13.291
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: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -173.165789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.165789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.165789 (E_RNA)
where:
Base-Base interactions energy: -109.592
where: short stacking energy: -53.710
Base-Backbone interact. energy: -0.418
local terms energy: -63.155038
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -9.634
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: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -90.069890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.069890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.069890 (E_RNA)
where:
Base-Base interactions energy: -34.509
where: short stacking energy: -34.509
Base-Backbone interact. energy: 0.046
local terms energy: -55.606977
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -91.290418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.290418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.290418 (E_RNA)
where:
Base-Base interactions energy: -31.720
where: short stacking energy: -31.720
Base-Backbone interact. energy: 0.167
local terms energy: -59.737785
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -80.957622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.957622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.957622 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -24.765
Base-Backbone interact. energy: -0.308
local terms energy: -46.416553
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: 4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -86.323710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.323710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.323710 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -27.636
Base-Backbone interact. energy: 0.561
local terms energy: -51.411718
where:
bonds (distance) C4'-P energy: -7.429
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -244.545588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.545588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.545588 (E_RNA)
where:
Base-Base interactions energy: -161.978
where: short stacking energy: -72.744
Base-Backbone interact. energy: -1.120
local terms energy: -81.447200
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -243.642267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.642267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.642267 (E_RNA)
where:
Base-Base interactions energy: -169.987
where: short stacking energy: -65.704
Base-Backbone interact. energy: 0.518
local terms energy: -74.173739
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -231.596567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.596567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.596567 (E_RNA)
where:
Base-Base interactions energy: -150.704
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.146
local terms energy: -80.746093
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -12.039
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: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -195.299115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.299115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.299115 (E_RNA)
where:
Base-Base interactions energy: -118.633
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.098
local terms energy: -76.568238
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -6.775
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: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -217.606970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.606970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.606970 (E_RNA)
where:
Base-Base interactions energy: -145.423
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.584
local terms energy: -71.600499
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -173.793093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.793093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.793093 (E_RNA)
where:
Base-Base interactions energy: -101.083
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.086
local terms energy: -72.623827
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.239
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: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -100.785156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.785156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.785156 (E_RNA)
where:
Base-Base interactions energy: -46.237
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.182
local terms energy: -54.366263
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -5.478
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: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -92.141393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.141393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.141393 (E_RNA)
where:
Base-Base interactions energy: -46.292
where: short stacking energy: -40.516
Base-Backbone interact. energy: 0.357
local terms energy: -46.206361
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -91.186963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.186963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.186963 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.153
local terms energy: -58.912978
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -86.905205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.905205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.905205 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -26.505
Base-Backbone interact. energy: 2.090
local terms energy: -47.198738
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -248.584994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.584994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.584994 (E_RNA)
where:
Base-Base interactions energy: -159.534
where: short stacking energy: -70.858
Base-Backbone interact. energy: -1.258
local terms energy: -87.792867
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -248.625253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.625253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.625253 (E_RNA)
where:
Base-Base interactions energy: -168.448
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.812
local terms energy: -79.365248
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -231.140312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.140312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.140312 (E_RNA)
where:
Base-Base interactions energy: -158.095
where: short stacking energy: -70.555
Base-Backbone interact. energy: -0.237
local terms energy: -72.807933
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -238.739867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.739867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.739867 (E_RNA)
where:
Base-Base interactions energy: -167.594
where: short stacking energy: -63.428
Base-Backbone interact. energy: 1.275
local terms energy: -72.420747
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -178.627157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.627157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.627157 (E_RNA)
where:
Base-Base interactions energy: -114.411
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.003
local terms energy: -64.212509
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -190.686198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.686198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.686198 (E_RNA)
where:
Base-Base interactions energy: -115.775
where: short stacking energy: -62.983
Base-Backbone interact. energy: -0.328
local terms energy: -74.583386
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -96.352350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.352350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.352350 (E_RNA)
where:
Base-Base interactions energy: -43.931
where: short stacking energy: -43.307
Base-Backbone interact. energy: -0.164
local terms energy: -52.257861
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -94.467561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.467561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.467561 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -31.937
Base-Backbone interact. energy: 3.221
local terms energy: -56.482641
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -11.994
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: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -106.716396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.716396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.716396 (E_RNA)
where:
Base-Base interactions energy: -59.579
where: short stacking energy: -32.960
Base-Backbone interact. energy: 0.573
local terms energy: -47.709940
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -1.805
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -115.178740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.178740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.178740 (E_RNA)
where:
Base-Base interactions energy: -64.896
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.237
local terms energy: -50.046495
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -9.260
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -249.048985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.048985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.048985 (E_RNA)
where:
Base-Base interactions energy: -177.868
where: short stacking energy: -78.170
Base-Backbone interact. energy: -0.033
local terms energy: -71.148076
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -239.734992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.734992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.734992 (E_RNA)
where:
Base-Base interactions energy: -154.290
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.931
local terms energy: -84.514528
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -235.352304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.352304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.352304 (E_RNA)
where:
Base-Base interactions energy: -166.875
where: short stacking energy: -63.899
Base-Backbone interact. energy: -1.097
local terms energy: -67.380145
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -233.461326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.461326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.461326 (E_RNA)
where:
Base-Base interactions energy: -162.142
where: short stacking energy: -67.777
Base-Backbone interact. energy: -0.532
local terms energy: -70.786606
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -6.046
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -174.412884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.412884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.412884 (E_RNA)
where:
Base-Base interactions energy: -101.499
where: short stacking energy: -44.019
Base-Backbone interact. energy: -0.329
local terms energy: -72.584872
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -186.699908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.699908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.699908 (E_RNA)
where:
Base-Base interactions energy: -115.179
where: short stacking energy: -60.600
Base-Backbone interact. energy: -0.028
local terms energy: -71.492584
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -93.237209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.237209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.237209 (E_RNA)
where:
Base-Base interactions energy: -33.166
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.003
local terms energy: -60.067364
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -91.359774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.359774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.359774 (E_RNA)
where:
Base-Base interactions energy: -38.831
where: short stacking energy: -30.096
Base-Backbone interact. energy: -0.358
local terms energy: -52.171401
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -6.863
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -88.171011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.171011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.171011 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.661
local terms energy: -53.683202
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -87.971131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971131 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -35.565
Base-Backbone interact. energy: 0.157
local terms energy: -50.532007
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -9.981
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: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -252.796429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.796429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.796429 (E_RNA)
where:
Base-Base interactions energy: -172.915
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.840
local terms energy: -79.040949
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -249.900872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.900872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.900872 (E_RNA)
where:
Base-Base interactions energy: -174.446
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.541
local terms energy: -74.914011
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -229.257317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.257317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.257317 (E_RNA)
where:
Base-Base interactions energy: -171.228
where: short stacking energy: -60.932
Base-Backbone interact. energy: 0.463
local terms energy: -58.492570
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -8.436
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -1.709
tors. eta vs tors. theta energy: -16.298
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -229.062804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.062804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.062804 (E_RNA)
where:
Base-Base interactions energy: -150.640
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.376
local terms energy: -78.046654
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -13.271
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -181.807440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.807440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.807440 (E_RNA)
where:
Base-Base interactions energy: -105.596
where: short stacking energy: -51.990
Base-Backbone interact. energy: -0.125
local terms energy: -76.086717
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -179.800211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.800211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.800211 (E_RNA)
where:
Base-Base interactions energy: -112.579
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.005
local terms energy: -67.215573
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -97.336510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.336510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.336510 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -38.851
Base-Backbone interact. energy: -0.009
local terms energy: -58.476501
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -99.332271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.332271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.332271 (E_RNA)
where:
Base-Base interactions energy: -48.392
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.281
local terms energy: -50.659968
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -102.235252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.235252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.235252 (E_RNA)
where:
Base-Base interactions energy: -43.124
where: short stacking energy: -23.224
Base-Backbone interact. energy: -0.068
local terms energy: -59.042488
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -80.046608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.046608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.046608 (E_RNA)
where:
Base-Base interactions energy: -31.541
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.078
local terms energy: -48.427658
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -4.368
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: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -244.991115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.991115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.991115 (E_RNA)
where:
Base-Base interactions energy: -170.836
where: short stacking energy: -63.963
Base-Backbone interact. energy: 0.377
local terms energy: -74.531869
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -14.354
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: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -254.965860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.965860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.965860 (E_RNA)
where:
Base-Base interactions energy: -174.811
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.382
local terms energy: -79.772901
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -243.244749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.244749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.244749 (E_RNA)
where:
Base-Base interactions energy: -167.425
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.222
local terms energy: -75.597198
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -229.156733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.156733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.156733 (E_RNA)
where:
Base-Base interactions energy: -154.636
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.158
local terms energy: -74.362192
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -180.371654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.371654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.371654 (E_RNA)
where:
Base-Base interactions energy: -112.891
where: short stacking energy: -55.712
Base-Backbone interact. energy: -0.063
local terms energy: -67.416981
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -13.227
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: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -177.198700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.198700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.198700 (E_RNA)
where:
Base-Base interactions energy: -109.463
where: short stacking energy: -49.785
Base-Backbone interact. energy: -0.169
local terms energy: -67.566792
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -137.941728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.941728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.941728 (E_RNA)
where:
Base-Base interactions energy: -71.498
where: short stacking energy: -37.393
Base-Backbone interact. energy: 0.127
local terms energy: -66.570653
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -96.986628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986628 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -34.314
Base-Backbone interact. energy: -0.010
local terms energy: -54.128857
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -93.405144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.405144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.405144 (E_RNA)
where:
Base-Base interactions energy: -43.800
where: short stacking energy: -35.213
Base-Backbone interact. energy: -0.747
local terms energy: -48.858249
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -1.784
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: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -83.847100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.847100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.847100 (E_RNA)
where:
Base-Base interactions energy: -24.072
where: short stacking energy: -24.072
Base-Backbone interact. energy: 1.450
local terms energy: -61.224663
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -257.361526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.361526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.361526 (E_RNA)
where:
Base-Base interactions energy: -183.197
where: short stacking energy: -68.685
Base-Backbone interact. energy: -1.347
local terms energy: -72.817843
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -253.588430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.588430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.588430 (E_RNA)
where:
Base-Base interactions energy: -174.420
where: short stacking energy: -77.285
Base-Backbone interact. energy: -0.083
local terms energy: -79.084973
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -239.932752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.932752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.932752 (E_RNA)
where:
Base-Base interactions energy: -170.194
where: short stacking energy: -59.138
Base-Backbone interact. energy: 0.134
local terms energy: -69.872517
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -241.270188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.270188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.270188 (E_RNA)
where:
Base-Base interactions energy: -160.854
where: short stacking energy: -72.803
Base-Backbone interact. energy: -0.546
local terms energy: -79.870268
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -189.172809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.172809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.172809 (E_RNA)
where:
Base-Base interactions energy: -112.267
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.009
local terms energy: -76.896108
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -163.415115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.415115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.415115 (E_RNA)
where:
Base-Base interactions energy: -95.578
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.259
local terms energy: -67.578058
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -11.585
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: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -168.181446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.181446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.181446 (E_RNA)
where:
Base-Base interactions energy: -98.730
where: short stacking energy: -57.564
Base-Backbone interact. energy: -0.017
local terms energy: -69.433970
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -8.836
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: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -95.438719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.438719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.438719 (E_RNA)
where:
Base-Base interactions energy: -42.029
where: short stacking energy: -31.658
Base-Backbone interact. energy: -0.666
local terms energy: -52.743836
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -99.392855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.392855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.392855 (E_RNA)
where:
Base-Base interactions energy: -42.380
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.172
local terms energy: -56.840528
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.189
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: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -81.706806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.706806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.706806 (E_RNA)
where:
Base-Base interactions energy: -34.123
where: short stacking energy: -34.123
Base-Backbone interact. energy: -0.303
local terms energy: -47.280805
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -251.157540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.157540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.157540 (E_RNA)
where:
Base-Base interactions energy: -170.293
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.447
local terms energy: -80.417427
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -253.016318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.016318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.016318 (E_RNA)
where:
Base-Base interactions energy: -181.257
where: short stacking energy: -77.786
Base-Backbone interact. energy: -0.547
local terms energy: -71.212415
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.138
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: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -249.111122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.111122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.111122 (E_RNA)
where:
Base-Base interactions energy: -171.288
where: short stacking energy: -64.205
Base-Backbone interact. energy: -1.009
local terms energy: -76.813914
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -6.384
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: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -232.116775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.116775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.116775 (E_RNA)
where:
Base-Base interactions energy: -154.434
where: short stacking energy: -72.133
Base-Backbone interact. energy: -0.171
local terms energy: -77.511494
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -189.474094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.474094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.474094 (E_RNA)
where:
Base-Base interactions energy: -122.742
where: short stacking energy: -56.197
Base-Backbone interact. energy: 1.557
local terms energy: -68.288995
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -8.252
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -177.544660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544660 (E_RNA)
where:
Base-Base interactions energy: -106.280
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.034
local terms energy: -71.231433
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -109.674702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.674702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.674702 (E_RNA)
where:
Base-Base interactions energy: -50.333
where: short stacking energy: -33.078
Base-Backbone interact. energy: -0.385
local terms energy: -58.956810
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -98.299595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.299595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.299595 (E_RNA)
where:
Base-Base interactions energy: -48.781
where: short stacking energy: -33.185
Base-Backbone interact. energy: -0.126
local terms energy: -49.393046
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -81.956895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.956895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.956895 (E_RNA)
where:
Base-Base interactions energy: -20.031
where: short stacking energy: -16.932
Base-Backbone interact. energy: -0.101
local terms energy: -61.824334
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: 2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -84.714766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.714766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.714766 (E_RNA)
where:
Base-Base interactions energy: -31.863
where: short stacking energy: -23.540
Base-Backbone interact. energy: -0.477
local terms energy: -52.374732
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: 2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -241.446024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.446024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.446024 (E_RNA)
where:
Base-Base interactions energy: -164.484
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.834
local terms energy: -76.128822
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -253.637369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.637369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.637369 (E_RNA)
where:
Base-Base interactions energy: -172.867
where: short stacking energy: -68.957
Base-Backbone interact. energy: -0.257
local terms energy: -80.512863
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -13.457
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: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -238.379335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.379335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.379335 (E_RNA)
where:
Base-Base interactions energy: -168.412
where: short stacking energy: -65.628
Base-Backbone interact. energy: 0.310
local terms energy: -70.277192
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -11.611
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: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -228.688758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.688758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.688758 (E_RNA)
where:
Base-Base interactions energy: -157.651
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.202
local terms energy: -70.835456
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -183.876858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.876858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.876858 (E_RNA)
where:
Base-Base interactions energy: -105.764
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.121
local terms energy: -77.991763
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -18.119
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: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -163.808037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.808037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.808037 (E_RNA)
where:
Base-Base interactions energy: -102.784
where: short stacking energy: -40.795
Base-Backbone interact. energy: -0.289
local terms energy: -60.734647
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -99.211695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.211695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.211695 (E_RNA)
where:
Base-Base interactions energy: -41.300
where: short stacking energy: -41.300
Base-Backbone interact. energy: 0.601
local terms energy: -58.512747
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -107.135660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.135660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.135660 (E_RNA)
where:
Base-Base interactions energy: -47.970
where: short stacking energy: -40.562
Base-Backbone interact. energy: -0.502
local terms energy: -58.663640
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -75.720062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.720062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.720062 (E_RNA)
where:
Base-Base interactions energy: -16.097
where: short stacking energy: -14.874
Base-Backbone interact. energy: -0.199
local terms energy: -59.423477
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -6.768
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: 175
Temperature: 1.350000
Total energy: -86.028331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028331 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -32.696
Base-Backbone interact. energy: -0.125
local terms energy: -52.176122
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: 0.421
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -253.281003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.281003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.281003 (E_RNA)
where:
Base-Base interactions energy: -176.709
where: short stacking energy: -66.216
Base-Backbone interact. energy: -0.192
local terms energy: -76.380044
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -231.505522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.505522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.505522 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.139
local terms energy: -74.885963
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -7.347
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: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -240.328192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.328192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.328192 (E_RNA)
where:
Base-Base interactions energy: -163.024
where: short stacking energy: -75.355
Base-Backbone interact. energy: -0.788
local terms energy: -76.515909
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -12.752
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: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -229.012219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.012219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.012219 (E_RNA)
where:
Base-Base interactions energy: -155.970
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.281
local terms energy: -72.761276
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -8.919
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: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -191.094198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.094198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.094198 (E_RNA)
where:
Base-Base interactions energy: -120.827
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.109
local terms energy: -70.158330
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -174.125988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.125988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.125988 (E_RNA)
where:
Base-Base interactions energy: -104.521
where: short stacking energy: -49.861
Base-Backbone interact. energy: -0.054
local terms energy: -69.550935
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -8.344
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: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -112.798737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.798737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.798737 (E_RNA)
where:
Base-Base interactions energy: -68.955
where: short stacking energy: -39.475
Base-Backbone interact. energy: -0.642
local terms energy: -43.201916
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -0.368
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -94.750614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.750614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.750614 (E_RNA)
where:
Base-Base interactions energy: -40.409
where: short stacking energy: -27.814
Base-Backbone interact. energy: -0.500
local terms energy: -53.841483
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -4.993
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: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -100.242015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.242015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.242015 (E_RNA)
where:
Base-Base interactions energy: -36.639
where: short stacking energy: -36.272
Base-Backbone interact. energy: -0.042
local terms energy: -63.561351
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.219253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.219253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.219253 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -27.560
Base-Backbone interact. energy: -1.475
local terms energy: -44.460610
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -1.585
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -245.080221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.080221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.080221 (E_RNA)
where:
Base-Base interactions energy: -164.577
where: short stacking energy: -68.045
Base-Backbone interact. energy: -0.107
local terms energy: -80.396571
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -12.529
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: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -235.054541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.054541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.054541 (E_RNA)
where:
Base-Base interactions energy: -152.748
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.466
local terms energy: -81.839798
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -20.678
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: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -234.580194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.580194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.580194 (E_RNA)
where:
Base-Base interactions energy: -162.105
where: short stacking energy: -72.837
Base-Backbone interact. energy: -0.449
local terms energy: -72.025874
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -216.985331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.985331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.985331 (E_RNA)
where:
Base-Base interactions energy: -140.774
where: short stacking energy: -55.937
Base-Backbone interact. energy: -0.228
local terms energy: -75.983386
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -176.559087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.559087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.559087 (E_RNA)
where:
Base-Base interactions energy: -111.422
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.079
local terms energy: -65.058484
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -175.167314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.167314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.167314 (E_RNA)
where:
Base-Base interactions energy: -107.280
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.100
local terms energy: -67.787377
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -16.020
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: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -109.568037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.568037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.568037 (E_RNA)
where:
Base-Base interactions energy: -57.730
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.042
local terms energy: -51.796321
where:
bonds (distance) C4'-P energy: -6.436
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -9.953
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -100.618105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.618105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.618105 (E_RNA)
where:
Base-Base interactions energy: -42.356
where: short stacking energy: -27.061
Base-Backbone interact. energy: -0.861
local terms energy: -57.401289
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -11.511
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: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -80.783448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.783448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.783448 (E_RNA)
where:
Base-Base interactions energy: -16.912
where: short stacking energy: -13.406
Base-Backbone interact. energy: -0.450
local terms energy: -63.421738
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -12.144
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: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -129.774352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.774352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.774352 (E_RNA)
where:
Base-Base interactions energy: -75.450
where: short stacking energy: -46.139
Base-Backbone interact. energy: 0.223
local terms energy: -54.547950
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -11.537
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: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -254.886772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.886772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.886772 (E_RNA)
where:
Base-Base interactions energy: -173.047
where: short stacking energy: -72.445
Base-Backbone interact. energy: -0.107
local terms energy: -81.732763
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -238.087257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.087257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.087257 (E_RNA)
where:
Base-Base interactions energy: -157.529
where: short stacking energy: -69.515
Base-Backbone interact. energy: -1.630
local terms energy: -78.928196
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -20.517
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: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -242.478299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.478299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.478299 (E_RNA)
where:
Base-Base interactions energy: -158.304
where: short stacking energy: -71.982
Base-Backbone interact. energy: -1.227
local terms energy: -82.947330
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -20.747
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: 178
Temperature: 1.050000
Total energy: -232.179827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.179827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.179827 (E_RNA)
where:
Base-Base interactions energy: -156.634
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.216
local terms energy: -75.329935
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -190.623340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.623340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.623340 (E_RNA)
where:
Base-Base interactions energy: -119.284
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.555
local terms energy: -70.784588
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -189.560056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.560056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.560056 (E_RNA)
where:
Base-Base interactions energy: -117.398
where: short stacking energy: -47.187
Base-Backbone interact. energy: -0.141
local terms energy: -72.021808
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -11.428
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: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -108.581110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.581110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.581110 (E_RNA)
where:
Base-Base interactions energy: -45.485
where: short stacking energy: -39.663
Base-Backbone interact. energy: -0.014
local terms energy: -63.082129
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -85.128464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128464 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.142
local terms energy: -54.269646
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -87.956135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.956135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.956135 (E_RNA)
where:
Base-Base interactions energy: -26.204
where: short stacking energy: -24.329
Base-Backbone interact. energy: -1.125
local terms energy: -60.626724
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: 0.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -82.279859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.279859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.279859 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -28.183
Base-Backbone interact. energy: -0.398
local terms energy: -50.472457
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -6.580
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -250.024310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.024310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.024310 (E_RNA)
where:
Base-Base interactions energy: -170.438
where: short stacking energy: -67.814
Base-Backbone interact. energy: 0.069
local terms energy: -79.654353
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -248.177005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.177005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.177005 (E_RNA)
where:
Base-Base interactions energy: -162.399
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.463
local terms energy: -85.315235
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -22.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -234.426738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.426738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.426738 (E_RNA)
where:
Base-Base interactions energy: -155.831
where: short stacking energy: -71.754
Base-Backbone interact. energy: -0.267
local terms energy: -78.329289
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -11.043
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: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -228.003236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.003236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.003236 (E_RNA)
where:
Base-Base interactions energy: -162.015
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.366
local terms energy: -65.622327
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -181.426883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.426883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.426883 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.024
local terms energy: -69.160281
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -17.609
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -161.728613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.728613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.728613 (E_RNA)
where:
Base-Base interactions energy: -91.099
where: short stacking energy: -46.264
Base-Backbone interact. energy: -0.420
local terms energy: -70.209276
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -119.369524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.369524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.369524 (E_RNA)
where:
Base-Base interactions energy: -59.058
where: short stacking energy: -44.849
Base-Backbone interact. energy: -0.043
local terms energy: -60.268537
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: 1.966
tors. eta vs tors. theta energy: -12.229
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: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -96.968490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968490 (E_RNA)
where:
Base-Base interactions energy: -41.358
where: short stacking energy: -30.359
Base-Backbone interact. energy: -0.385
local terms energy: -55.225168
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -87.740692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.740692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.740692 (E_RNA)
where:
Base-Base interactions energy: -32.009
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.041
local terms energy: -55.691282
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -92.342989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342989 (E_RNA)
where:
Base-Base interactions energy: -42.314
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.661
local terms energy: -49.367609
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -254.506826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.506826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.506826 (E_RNA)
where:
Base-Base interactions energy: -168.255
where: short stacking energy: -80.393
Base-Backbone interact. energy: -1.305
local terms energy: -84.946736
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -21.695
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: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -243.683872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.683872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.683872 (E_RNA)
where:
Base-Base interactions energy: -167.045
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.210
local terms energy: -76.428404
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -12.202
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: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -225.863484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.863484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.863484 (E_RNA)
where:
Base-Base interactions energy: -152.804
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.298
local terms energy: -72.761335
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -235.872024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.872024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.872024 (E_RNA)
where:
Base-Base interactions energy: -161.488
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.614
local terms energy: -73.769967
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -14.664
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: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -181.214191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.214191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.214191 (E_RNA)
where:
Base-Base interactions energy: -110.124
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.165
local terms energy: -70.925201
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -181.045169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.045169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.045169 (E_RNA)
where:
Base-Base interactions energy: -116.894
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.052
local terms energy: -64.098474
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -8.875
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: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -113.912284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.912284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.912284 (E_RNA)
where:
Base-Base interactions energy: -54.692
where: short stacking energy: -36.135
Base-Backbone interact. energy: -0.159
local terms energy: -59.061660
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -89.746096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.746096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.746096 (E_RNA)
where:
Base-Base interactions energy: -44.341
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.371
local terms energy: -45.033716
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: 3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -81.751430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.751430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.751430 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -23.538
Base-Backbone interact. energy: -0.912
local terms energy: -46.575009
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: 2.454
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: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -92.343670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.343670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.343670 (E_RNA)
where:
Base-Base interactions energy: -36.779
where: short stacking energy: -32.305
Base-Backbone interact. energy: -0.016
local terms energy: -55.548530
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -6.586
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: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -245.170490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.170490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.170490 (E_RNA)
where:
Base-Base interactions energy: -163.717
where: short stacking energy: -75.348
Base-Backbone interact. energy: -0.621
local terms energy: -80.832819
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -246.476790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.476790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.476790 (E_RNA)
where:
Base-Base interactions energy: -173.495
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.267
local terms energy: -72.714606
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -11.915
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: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -235.456175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.456175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.456175 (E_RNA)
where:
Base-Base interactions energy: -153.821
where: short stacking energy: -70.881
Base-Backbone interact. energy: -0.660
local terms energy: -80.974690
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -18.197
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: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -194.109510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.109510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.109510 (E_RNA)
where:
Base-Base interactions energy: -118.837
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.029
local terms energy: -75.242806
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -209.232374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.232374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.232374 (E_RNA)
where:
Base-Base interactions energy: -143.231
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.189
local terms energy: -65.811785
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -11.603
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: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -161.061425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.061425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.061425 (E_RNA)
where:
Base-Base interactions energy: -98.944
where: short stacking energy: -50.031
Base-Backbone interact. energy: -0.070
local terms energy: -62.047268
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -93.555477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.555477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.555477 (E_RNA)
where:
Base-Base interactions energy: -31.358
where: short stacking energy: -29.576
Base-Backbone interact. energy: -0.070
local terms energy: -62.127318
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -88.736876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.736876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.736876 (E_RNA)
where:
Base-Base interactions energy: -27.534
where: short stacking energy: -22.453
Base-Backbone interact. energy: -0.132
local terms energy: -61.070820
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -11.347
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: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -87.120582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120582 (E_RNA)
where:
Base-Base interactions energy: -35.417
where: short stacking energy: -34.322
Base-Backbone interact. energy: -0.036
local terms energy: -51.667797
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -87.417824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.417824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.417824 (E_RNA)
where:
Base-Base interactions energy: -25.689
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.058
local terms energy: -61.671633
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -246.211761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.211761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.211761 (E_RNA)
where:
Base-Base interactions energy: -162.254
where: short stacking energy: -80.030
Base-Backbone interact. energy: -0.593
local terms energy: -83.364809
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -254.336909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.336909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.336909 (E_RNA)
where:
Base-Base interactions energy: -169.794
where: short stacking energy: -75.282
Base-Backbone interact. energy: -0.183
local terms energy: -84.360470
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -17.824
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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -206.067176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.067176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.067176 (E_RNA)
where:
Base-Base interactions energy: -126.433
where: short stacking energy: -72.758
Base-Backbone interact. energy: -0.003
local terms energy: -79.631520
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -226.826646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.826646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.826646 (E_RNA)
where:
Base-Base interactions energy: -155.900
where: short stacking energy: -72.624
Base-Backbone interact. energy: -0.188
local terms energy: -70.738608
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -18.557
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: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -178.686625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.686625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.686625 (E_RNA)
where:
Base-Base interactions energy: -105.407
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.118
local terms energy: -73.161273
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -205.400760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.400760 (E_RNA)
where:
Base-Base interactions energy: -146.116
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.138
local terms energy: -59.147541
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -104.596398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.596398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.596398 (E_RNA)
where:
Base-Base interactions energy: -46.502
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.101
local terms energy: -57.993042
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -9.526
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: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -85.442277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.442277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.442277 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -31.548
Base-Backbone interact. energy: -1.268
local terms energy: -52.352921
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -92.596512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.596512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.596512 (E_RNA)
where:
Base-Base interactions energy: -36.996
where: short stacking energy: -36.996
Base-Backbone interact. energy: -0.064
local terms energy: -55.537284
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -85.233875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.233875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.233875 (E_RNA)
where:
Base-Base interactions energy: -37.261
where: short stacking energy: -17.214
Base-Backbone interact. energy: -1.108
local terms energy: -46.864641
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -247.573253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.573253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.573253 (E_RNA)
where:
Base-Base interactions energy: -169.193
where: short stacking energy: -76.812
Base-Backbone interact. energy: -1.494
local terms energy: -76.886027
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -240.439745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.439745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.439745 (E_RNA)
where:
Base-Base interactions energy: -158.837
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.822
local terms energy: -80.781583
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -196.373986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.373986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.373986 (E_RNA)
where:
Base-Base interactions energy: -122.131
where: short stacking energy: -56.664
Base-Backbone interact. energy: 0.638
local terms energy: -74.881232
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -186.941261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.941261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.941261 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -67.342
Base-Backbone interact. energy: -0.167
local terms energy: -64.681276
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -10.483
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: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -226.359339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.359339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.359339 (E_RNA)
where:
Base-Base interactions energy: -156.466
where: short stacking energy: -68.962
Base-Backbone interact. energy: 0.657
local terms energy: -70.550860
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -231.213755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.213755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.213755 (E_RNA)
where:
Base-Base interactions energy: -169.247
where: short stacking energy: -58.925
Base-Backbone interact. energy: 2.189
local terms energy: -64.155608
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -103.207995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.207995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.207995 (E_RNA)
where:
Base-Base interactions energy: -46.460
where: short stacking energy: -33.974
Base-Backbone interact. energy: -0.056
local terms energy: -56.691614
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -91.925034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.925034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.925034 (E_RNA)
where:
Base-Base interactions energy: -30.375
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.189
local terms energy: -61.361476
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.635
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: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -85.525044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.525044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.525044 (E_RNA)
where:
Base-Base interactions energy: -29.038
where: short stacking energy: -23.545
Base-Backbone interact. energy: 1.103
local terms energy: -57.589649
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: 2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -81.278035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.278035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.278035 (E_RNA)
where:
Base-Base interactions energy: -32.397
where: short stacking energy: -26.109
Base-Backbone interact. energy: 1.100
local terms energy: -49.981266
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -1.550
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -246.212076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.212076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.212076 (E_RNA)
where:
Base-Base interactions energy: -166.731
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.659
local terms energy: -78.821394
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -239.508956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.508956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.508956 (E_RNA)
where:
Base-Base interactions energy: -162.639
where: short stacking energy: -76.241
Base-Backbone interact. energy: -0.389
local terms energy: -76.480456
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -8.801
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: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -200.684549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.684549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.684549 (E_RNA)
where:
Base-Base interactions energy: -128.570
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.652
local terms energy: -71.462850
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -204.758626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.758626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.758626 (E_RNA)
where:
Base-Base interactions energy: -124.750
where: short stacking energy: -63.858
Base-Backbone interact. energy: -0.002
local terms energy: -80.007168
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -217.563857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.563857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.563857 (E_RNA)
where:
Base-Base interactions energy: -156.779
where: short stacking energy: -59.025
Base-Backbone interact. energy: -0.443
local terms energy: -60.341987
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -204.222515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222515 (E_RNA)
where:
Base-Base interactions energy: -131.409
where: short stacking energy: -54.892
Base-Backbone interact. energy: -1.019
local terms energy: -71.794327
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -103.006632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.006632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.006632 (E_RNA)
where:
Base-Base interactions energy: -45.611
where: short stacking energy: -45.611
Base-Backbone interact. energy: -0.086
local terms energy: -57.309368
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -87.531349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.531349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.531349 (E_RNA)
where:
Base-Base interactions energy: -29.768
where: short stacking energy: -25.194
Base-Backbone interact. energy: -0.196
local terms energy: -57.567340
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -82.188940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.188940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.188940 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.229
local terms energy: -46.820659
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: 0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -82.775177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.775177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.775177 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -19.380
Base-Backbone interact. energy: -0.094
local terms energy: -50.251403
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -249.323612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.323612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.323612 (E_RNA)
where:
Base-Base interactions energy: -171.154
where: short stacking energy: -66.170
Base-Backbone interact. energy: -1.240
local terms energy: -76.929687
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -243.622808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.622808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.622808 (E_RNA)
where:
Base-Base interactions energy: -164.295
where: short stacking energy: -70.538
Base-Backbone interact. energy: -0.612
local terms energy: -78.715585
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -205.058645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.058645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.058645 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -67.568
Base-Backbone interact. energy: 1.830
local terms energy: -76.494706
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -217.235111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.235111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.235111 (E_RNA)
where:
Base-Base interactions energy: -150.119
where: short stacking energy: -62.398
Base-Backbone interact. energy: 0.638
local terms energy: -67.754271
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -189.605920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.605920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.605920 (E_RNA)
where:
Base-Base interactions energy: -113.215
where: short stacking energy: -51.304
Base-Backbone interact. energy: -0.067
local terms energy: -76.324686
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -12.503
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: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -174.756609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.756609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.756609 (E_RNA)
where:
Base-Base interactions energy: -107.917
where: short stacking energy: -58.230
Base-Backbone interact. energy: -0.181
local terms energy: -66.659115
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -102.458769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.458769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.458769 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -39.674
Base-Backbone interact. energy: 0.345
local terms energy: -59.588374
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -85.820642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.820642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.820642 (E_RNA)
where:
Base-Base interactions energy: -30.290
where: short stacking energy: -30.290
Base-Backbone interact. energy: -0.079
local terms energy: -55.452228
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -80.840915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.840915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.840915 (E_RNA)
where:
Base-Base interactions energy: -28.533
where: short stacking energy: -22.054
Base-Backbone interact. energy: 0.859
local terms energy: -53.166865
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -78.475152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.475152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.475152 (E_RNA)
where:
Base-Base interactions energy: -31.155
where: short stacking energy: -31.155
Base-Backbone interact. energy: -0.078
local terms energy: -47.242441
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -250.118934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.118934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.118934 (E_RNA)
where:
Base-Base interactions energy: -180.480
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.427
local terms energy: -69.211514
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -14.595
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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -237.074678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.074678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.074678 (E_RNA)
where:
Base-Base interactions energy: -153.462
where: short stacking energy: -67.017
Base-Backbone interact. energy: -1.195
local terms energy: -82.417916
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.151
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: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -236.392704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.392704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.392704 (E_RNA)
where:
Base-Base interactions energy: -154.065
where: short stacking energy: -70.021
Base-Backbone interact. energy: -0.304
local terms energy: -82.023474
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -198.821476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.821476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.821476 (E_RNA)
where:
Base-Base interactions energy: -128.801
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.003
local terms energy: -70.017693
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -7.121
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: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -165.701820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.701820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.701820 (E_RNA)
where:
Base-Base interactions energy: -99.193
where: short stacking energy: -51.828
Base-Backbone interact. energy: -0.137
local terms energy: -66.371980
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -178.360673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.360673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360673 (E_RNA)
where:
Base-Base interactions energy: -105.967
where: short stacking energy: -49.901
Base-Backbone interact. energy: -0.050
local terms energy: -72.343543
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -12.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -99.129982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.129982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.129982 (E_RNA)
where:
Base-Base interactions energy: -44.559
where: short stacking energy: -27.491
Base-Backbone interact. energy: -0.143
local terms energy: -54.428689
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -90.616054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.616054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.616054 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -33.797
Base-Backbone interact. energy: 3.544
local terms energy: -59.460600
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -100.652593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.652593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.652593 (E_RNA)
where:
Base-Base interactions energy: -41.014
where: short stacking energy: -41.014
Base-Backbone interact. energy: -0.094
local terms energy: -59.544605
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -6.171
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: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -80.417366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417366 (E_RNA)
where:
Base-Base interactions energy: -30.377
where: short stacking energy: -23.147
Base-Backbone interact. energy: -0.303
local terms energy: -49.736844
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -263.771149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.771149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.771149 (E_RNA)
where:
Base-Base interactions energy: -180.822
where: short stacking energy: -62.943
Base-Backbone interact. energy: 0.761
local terms energy: -83.710393
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -231.408341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.408341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.408341 (E_RNA)
where:
Base-Base interactions energy: -163.668
where: short stacking energy: -76.525
Base-Backbone interact. energy: 0.056
local terms energy: -67.796120
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.420
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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -231.827576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.827576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.827576 (E_RNA)
where:
Base-Base interactions energy: -148.564
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.381
local terms energy: -82.882268
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -190.003850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.003850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.003850 (E_RNA)
where:
Base-Base interactions energy: -122.118
where: short stacking energy: -52.077
Base-Backbone interact. energy: -0.012
local terms energy: -67.873976
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -192.928388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.928388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.928388 (E_RNA)
where:
Base-Base interactions energy: -132.177
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.007
local terms energy: -60.744370
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -182.676460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.676460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.676460 (E_RNA)
where:
Base-Base interactions energy: -119.926
where: short stacking energy: -49.553
Base-Backbone interact. energy: -0.223
local terms energy: -62.526595
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -87.705758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705758 (E_RNA)
where:
Base-Base interactions energy: -33.250
where: short stacking energy: -32.860
Base-Backbone interact. energy: 0.384
local terms energy: -54.839417
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -87.423809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.423809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.423809 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -17.628
Base-Backbone interact. energy: -1.060
local terms energy: -48.548647
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: 7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -87.681562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.681562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.681562 (E_RNA)
where:
Base-Base interactions energy: -39.486
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.177
local terms energy: -48.018540
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -1.471
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: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -89.224669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.224669 (E_RNA)
where:
Base-Base interactions energy: -30.332
where: short stacking energy: -30.332
Base-Backbone interact. energy: -0.088
local terms energy: -58.805018
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -267.844084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.844084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.844084 (E_RNA)
where:
Base-Base interactions energy: -183.300
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.354
local terms energy: -84.190028
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -244.376342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.376342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.376342 (E_RNA)
where:
Base-Base interactions energy: -163.655
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.341
local terms energy: -80.380652
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.569
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: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -237.045944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.045944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.045944 (E_RNA)
where:
Base-Base interactions energy: -160.689
where: short stacking energy: -66.694
Base-Backbone interact. energy: -0.228
local terms energy: -76.129348
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -198.557937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.557937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.557937 (E_RNA)
where:
Base-Base interactions energy: -131.606
where: short stacking energy: -58.350
Base-Backbone interact. energy: -0.263
local terms energy: -66.688309
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -188.308209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.308209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.308209 (E_RNA)
where:
Base-Base interactions energy: -120.402
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.460
local terms energy: -67.446501
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -172.902272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.902272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.902272 (E_RNA)
where:
Base-Base interactions energy: -109.194
where: short stacking energy: -49.951
Base-Backbone interact. energy: -0.003
local terms energy: -63.704611
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -12.946
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: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -129.562337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.562337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.562337 (E_RNA)
where:
Base-Base interactions energy: -65.856
where: short stacking energy: -28.435
Base-Backbone interact. energy: -0.606
local terms energy: -63.100237
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -91.319721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.319721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.319721 (E_RNA)
where:
Base-Base interactions energy: -41.949
where: short stacking energy: -37.681
Base-Backbone interact. energy: -0.637
local terms energy: -48.733987
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -8.122
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -7.184
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: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -89.239376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.239376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.239376 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -31.900
Base-Backbone interact. energy: 1.937
local terms energy: -55.474580
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -83.735486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.735486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.735486 (E_RNA)
where:
Base-Base interactions energy: -34.033
where: short stacking energy: -15.305
Base-Backbone interact. energy: -1.036
local terms energy: -48.666068
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: 3.185
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: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -256.185717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.185717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.185717 (E_RNA)
where:
Base-Base interactions energy: -179.812
where: short stacking energy: -66.668
Base-Backbone interact. energy: 0.372
local terms energy: -76.745650
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -14.281
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: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -240.741898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.741898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.741898 (E_RNA)
where:
Base-Base interactions energy: -163.021
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.529
local terms energy: -77.191893
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -13.250
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: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -224.943770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.943770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.943770 (E_RNA)
where:
Base-Base interactions energy: -146.047
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.386
local terms energy: -78.510608
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -194.152273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.152273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.152273 (E_RNA)
where:
Base-Base interactions energy: -124.638
where: short stacking energy: -49.630
Base-Backbone interact. energy: -0.400
local terms energy: -69.114735
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -187.691941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.691941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.691941 (E_RNA)
where:
Base-Base interactions energy: -123.551
where: short stacking energy: -55.101
Base-Backbone interact. energy: -0.114
local terms energy: -64.026191
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -11.265
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: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -172.266977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.266977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.266977 (E_RNA)
where:
Base-Base interactions energy: -104.174
where: short stacking energy: -45.716
Base-Backbone interact. energy: 0.442
local terms energy: -68.534290
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -113.627510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.627510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.627510 (E_RNA)
where:
Base-Base interactions energy: -54.230
where: short stacking energy: -30.947
Base-Backbone interact. energy: -3.102
local terms energy: -56.295879
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -95.448902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.448902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.448902 (E_RNA)
where:
Base-Base interactions energy: -40.691
where: short stacking energy: -30.422
Base-Backbone interact. energy: -0.774
local terms energy: -53.983318
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -92.110889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.110889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.110889 (E_RNA)
where:
Base-Base interactions energy: -36.731
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.097
local terms energy: -55.283509
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -84.150021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.150021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.150021 (E_RNA)
where:
Base-Base interactions energy: -33.990
where: short stacking energy: -28.637
Base-Backbone interact. energy: 1.013
local terms energy: -51.173688
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -247.823516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.823516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.823516 (E_RNA)
where:
Base-Base interactions energy: -166.307
where: short stacking energy: -70.096
Base-Backbone interact. energy: -0.487
local terms energy: -81.028648
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -20.756
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: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -251.077776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.077776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.077776 (E_RNA)
where:
Base-Base interactions energy: -175.795
where: short stacking energy: -74.253
Base-Backbone interact. energy: -0.672
local terms energy: -74.609916
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.100
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: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -238.465827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.465827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.465827 (E_RNA)
where:
Base-Base interactions energy: -154.694
where: short stacking energy: -70.970
Base-Backbone interact. energy: -0.220
local terms energy: -83.551690
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -10.910
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: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -192.582637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.582637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.582637 (E_RNA)
where:
Base-Base interactions energy: -123.527
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.148
local terms energy: -68.907377
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -162.278832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.278832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.278832 (E_RNA)
where:
Base-Base interactions energy: -101.333
where: short stacking energy: -51.400
Base-Backbone interact. energy: 0.622
local terms energy: -61.567601
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -192.945953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.945953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.945953 (E_RNA)
where:
Base-Base interactions energy: -126.517
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.300
local terms energy: -66.128444
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -5.987
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: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -103.543572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.543572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.543572 (E_RNA)
where:
Base-Base interactions energy: -45.946
where: short stacking energy: -41.246
Base-Backbone interact. energy: 0.078
local terms energy: -57.675890
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -7.019
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -95.260291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.260291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.260291 (E_RNA)
where:
Base-Base interactions energy: -37.035
where: short stacking energy: -35.598
Base-Backbone interact. energy: -0.268
local terms energy: -57.957630
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -88.111081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.111081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.111081 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -28.122
Base-Backbone interact. energy: -0.395
local terms energy: -42.077809
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -4.715
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -85.992118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.992118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.992118 (E_RNA)
where:
Base-Base interactions energy: -39.731
where: short stacking energy: -27.995
Base-Backbone interact. energy: -0.267
local terms energy: -45.994782
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 1.153
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: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -241.945324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.945324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.945324 (E_RNA)
where:
Base-Base interactions energy: -159.529
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.394
local terms energy: -82.022247
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -19.430
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: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -246.963004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.963004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.963004 (E_RNA)
where:
Base-Base interactions energy: -170.163
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.462
local terms energy: -76.337551
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -233.082728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.082728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.082728 (E_RNA)
where:
Base-Base interactions energy: -164.793
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.301
local terms energy: -67.989284
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -195.621107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.621107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.621107 (E_RNA)
where:
Base-Base interactions energy: -115.996
where: short stacking energy: -62.586
Base-Backbone interact. energy: -0.001
local terms energy: -79.624123
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -185.392035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.392035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.392035 (E_RNA)
where:
Base-Base interactions energy: -114.837
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.762
local terms energy: -69.793540
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -174.705499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.705499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.705499 (E_RNA)
where:
Base-Base interactions energy: -113.721
where: short stacking energy: -50.290
Base-Backbone interact. energy: -0.172
local terms energy: -60.811810
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -95.707027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.707027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.707027 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -33.118
Base-Backbone interact. energy: 0.244
local terms energy: -57.318810
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -94.813504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.813504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.813504 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.145
local terms energy: -59.183092
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -91.435765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.435765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.435765 (E_RNA)
where:
Base-Base interactions energy: -32.958
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.096
local terms energy: -58.382007
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -87.322735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.322735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.322735 (E_RNA)
where:
Base-Base interactions energy: -32.045
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.034
local terms energy: -55.244358
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -5.913
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: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -260.415531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.415531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.415531 (E_RNA)
where:
Base-Base interactions energy: -179.842
where: short stacking energy: -69.079
Base-Backbone interact. energy: 0.004
local terms energy: -80.577296
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -15.568
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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -240.799243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.799243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.799243 (E_RNA)
where:
Base-Base interactions energy: -159.900
where: short stacking energy: -73.685
Base-Backbone interact. energy: -0.120
local terms energy: -80.778775
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -10.793
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: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -232.408529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.408529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.408529 (E_RNA)
where:
Base-Base interactions energy: -157.615
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.229
local terms energy: -74.564393
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -195.062995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.062995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.062995 (E_RNA)
where:
Base-Base interactions energy: -112.572
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.025
local terms energy: -82.466469
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -201.349911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.349911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.349911 (E_RNA)
where:
Base-Base interactions energy: -141.625
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.379
local terms energy: -59.345792
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -1.577
tors. eta vs tors. theta energy: -15.266
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: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -170.537716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.537716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.537716 (E_RNA)
where:
Base-Base interactions energy: -102.443
where: short stacking energy: -55.919
Base-Backbone interact. energy: -0.690
local terms energy: -67.404999
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -98.516069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.516069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.516069 (E_RNA)
where:
Base-Base interactions energy: -41.078
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.016
local terms energy: -57.422692
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -98.602846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.602846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.602846 (E_RNA)
where:
Base-Base interactions energy: -39.952
where: short stacking energy: -35.311
Base-Backbone interact. energy: -0.671
local terms energy: -57.980130
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -11.420
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: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -96.790739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.790739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.790739 (E_RNA)
where:
Base-Base interactions energy: -28.568
where: short stacking energy: -25.861
Base-Backbone interact. energy: -0.056
local terms energy: -68.166672
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -74.054398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.054398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.054398 (E_RNA)
where:
Base-Base interactions energy: -21.191
where: short stacking energy: -21.191
Base-Backbone interact. energy: -0.008
local terms energy: -52.855116
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -249.437577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.437577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.437577 (E_RNA)
where:
Base-Base interactions energy: -177.321
where: short stacking energy: -60.787
Base-Backbone interact. energy: 0.361
local terms energy: -72.477767
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.077
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: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -247.820682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.820682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.820682 (E_RNA)
where:
Base-Base interactions energy: -177.144
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.233
local terms energy: -70.443460
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -237.859664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.859664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.859664 (E_RNA)
where:
Base-Base interactions energy: -164.915
where: short stacking energy: -77.360
Base-Backbone interact. energy: 4.613
local terms energy: -77.557475
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -19.638
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: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -199.499570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.499570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.499570 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -57.386
Base-Backbone interact. energy: 0.161
local terms energy: -72.482187
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -177.810389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.810389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.810389 (E_RNA)
where:
Base-Base interactions energy: -100.698
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.819
local terms energy: -76.293362
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -170.165118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.165118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.165118 (E_RNA)
where:
Base-Base interactions energy: -101.450
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.014
local terms energy: -68.700998
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -97.908148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.908148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.908148 (E_RNA)
where:
Base-Base interactions energy: -42.094
where: short stacking energy: -42.321
Base-Backbone interact. energy: -0.035
local terms energy: -55.778913
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -85.938263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.938263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.938263 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -30.364
Base-Backbone interact. energy: -0.395
local terms energy: -53.987825
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -90.204602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.204602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.204602 (E_RNA)
where:
Base-Base interactions energy: -34.590
where: short stacking energy: -34.096
Base-Backbone interact. energy: 0.296
local terms energy: -55.910855
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -79.366532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.366532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.366532 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -24.337
Base-Backbone interact. energy: -0.109
local terms energy: -50.461659
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -250.988506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.988506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.988506 (E_RNA)
where:
Base-Base interactions energy: -183.949
where: short stacking energy: -68.548
Base-Backbone interact. energy: 0.400
local terms energy: -67.438656
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -11.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -246.880911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.880911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.880911 (E_RNA)
where:
Base-Base interactions energy: -173.003
where: short stacking energy: -66.406
Base-Backbone interact. energy: 0.267
local terms energy: -74.145203
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -228.503850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.503850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.503850 (E_RNA)
where:
Base-Base interactions energy: -156.319
where: short stacking energy: -60.266
Base-Backbone interact. energy: -0.177
local terms energy: -72.007274
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -13.692
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: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -197.500216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.500216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.500216 (E_RNA)
where:
Base-Base interactions energy: -129.952
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.005
local terms energy: -67.542408
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -182.455695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.455695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.455695 (E_RNA)
where:
Base-Base interactions energy: -115.814
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.041
local terms energy: -66.600741
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -169.611150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.611150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.611150 (E_RNA)
where:
Base-Base interactions energy: -102.086
where: short stacking energy: -50.678
Base-Backbone interact. energy: 0.235
local terms energy: -67.760116
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -118.643788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.643788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.643788 (E_RNA)
where:
Base-Base interactions energy: -56.767
where: short stacking energy: -43.643
Base-Backbone interact. energy: 0.311
local terms energy: -62.187709
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -6.374
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: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -92.069208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.069208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.069208 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -35.483
Base-Backbone interact. energy: -0.218
local terms energy: -54.275342
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -85.858417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.858417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.858417 (E_RNA)
where:
Base-Base interactions energy: -23.785
where: short stacking energy: -23.785
Base-Backbone interact. energy: -0.049
local terms energy: -62.025327
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -79.424697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.424697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.424697 (E_RNA)
where:
Base-Base interactions energy: -27.978
where: short stacking energy: -15.655
Base-Backbone interact. energy: -0.166
local terms energy: -51.281327
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: 5.911
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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -246.573756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.573756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.573756 (E_RNA)
where:
Base-Base interactions energy: -175.996
where: short stacking energy: -69.206
Base-Backbone interact. energy: 0.188
local terms energy: -70.766065
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -253.448843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.448843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.448843 (E_RNA)
where:
Base-Base interactions energy: -171.825
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.806
local terms energy: -80.818527
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -235.294267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.294267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.294267 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -79.815
Base-Backbone interact. energy: -0.166
local terms energy: -77.879241
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -202.874299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.874299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.874299 (E_RNA)
where:
Base-Base interactions energy: -141.092
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.439
local terms energy: -61.342462
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -176.112235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.112235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.112235 (E_RNA)
where:
Base-Base interactions energy: -115.710
where: short stacking energy: -42.173
Base-Backbone interact. energy: -0.033
local terms energy: -60.368935
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -147.083312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.083312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.083312 (E_RNA)
where:
Base-Base interactions energy: -92.207
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.236
local terms energy: -54.640408
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.003
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: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -116.903174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.903174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.903174 (E_RNA)
where:
Base-Base interactions energy: -54.377
where: short stacking energy: -53.221
Base-Backbone interact. energy: -0.002
local terms energy: -62.524059
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -96.512160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.512160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.512160 (E_RNA)
where:
Base-Base interactions energy: -42.839
where: short stacking energy: -42.518
Base-Backbone interact. energy: 0.133
local terms energy: -53.806130
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -91.737203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.737203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.737203 (E_RNA)
where:
Base-Base interactions energy: -41.934
where: short stacking energy: -25.443
Base-Backbone interact. energy: -0.535
local terms energy: -49.268651
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -9.624
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: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -88.812836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.812836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.812836 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -38.115
Base-Backbone interact. energy: -0.245
local terms energy: -50.453421
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -248.221557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.221557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.221557 (E_RNA)
where:
Base-Base interactions energy: -176.524
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.324
local terms energy: -71.372863
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -246.429291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.429291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.429291 (E_RNA)
where:
Base-Base interactions energy: -171.840
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.245
local terms energy: -74.344190
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -14.418
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: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -235.209929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.209929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.209929 (E_RNA)
where:
Base-Base interactions energy: -157.276
where: short stacking energy: -71.824
Base-Backbone interact. energy: -0.360
local terms energy: -77.574085
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -10.551
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: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -189.054873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.054873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.054873 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.378
local terms energy: -70.880692
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -162.890612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.890612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.890612 (E_RNA)
where:
Base-Base interactions energy: -95.533
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.126
local terms energy: -67.232167
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -190.551024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.551024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.551024 (E_RNA)
where:
Base-Base interactions energy: -120.128
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.033
local terms energy: -70.390849
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -99.409624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.409624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.409624 (E_RNA)
where:
Base-Base interactions energy: -46.201
where: short stacking energy: -46.201
Base-Backbone interact. energy: -0.037
local terms energy: -53.171958
where:
bonds (distance) C4'-P energy: -6.992
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -95.027205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.027205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.027205 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.017
local terms energy: -61.845968
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -11.937
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: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -93.011546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.011546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.011546 (E_RNA)
where:
Base-Base interactions energy: -44.070
where: short stacking energy: -36.548
Base-Backbone interact. energy: -0.140
local terms energy: -48.801542
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -86.848697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848697 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -27.826
Base-Backbone interact. energy: -0.048
local terms energy: -58.975483
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -10.400
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: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -252.441101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.441101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.441101 (E_RNA)
where:
Base-Base interactions energy: -177.169
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.416
local terms energy: -74.855602
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -234.681164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.681164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.681164 (E_RNA)
where:
Base-Base interactions energy: -167.132
where: short stacking energy: -67.509
Base-Backbone interact. energy: -0.065
local terms energy: -67.484548
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -10.631
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: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -232.783669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.783669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.783669 (E_RNA)
where:
Base-Base interactions energy: -154.406
where: short stacking energy: -64.693
Base-Backbone interact. energy: -0.799
local terms energy: -77.578888
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -15.163
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: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -177.053858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.053858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.053858 (E_RNA)
where:
Base-Base interactions energy: -119.433
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.347
local terms energy: -57.273658
where:
bonds (distance) C4'-P energy: -8.280
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.667
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: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -172.393159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.393159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.393159 (E_RNA)
where:
Base-Base interactions energy: -100.572
where: short stacking energy: -45.197
Base-Backbone interact. energy: -0.485
local terms energy: -71.335561
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.388
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: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -192.788603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.788603 (E_RNA)
where:
Base-Base interactions energy: -122.240
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.021
local terms energy: -70.527317
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -94.777310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.777310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.777310 (E_RNA)
where:
Base-Base interactions energy: -36.791
where: short stacking energy: -31.467
Base-Backbone interact. energy: -0.084
local terms energy: -57.902821
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -2.904
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: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -88.399478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.399478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.399478 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -27.289
Base-Backbone interact. energy: -1.262
local terms energy: -56.221141
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -82.831282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.831282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.831282 (E_RNA)
where:
Base-Base interactions energy: -36.897
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.784
local terms energy: -45.150019
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -1.903
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: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -83.509078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.509078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.509078 (E_RNA)
where:
Base-Base interactions energy: -31.081
where: short stacking energy: -28.142
Base-Backbone interact. energy: -1.146
local terms energy: -51.282476
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.430
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: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -245.549708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.549708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.549708 (E_RNA)
where:
Base-Base interactions energy: -161.996
where: short stacking energy: -81.523
Base-Backbone interact. energy: -0.286
local terms energy: -83.267775
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -237.062869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.062869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.062869 (E_RNA)
where:
Base-Base interactions energy: -160.210
where: short stacking energy: -66.375
Base-Backbone interact. energy: 0.372
local terms energy: -77.224990
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -232.099316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.099316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.099316 (E_RNA)
where:
Base-Base interactions energy: -161.264
where: short stacking energy: -68.269
Base-Backbone interact. energy: 1.250
local terms energy: -72.085928
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -183.788772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.788772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.788772 (E_RNA)
where:
Base-Base interactions energy: -110.923
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.804
local terms energy: -72.061864
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -193.036120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.036120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.036120 (E_RNA)
where:
Base-Base interactions energy: -124.734
where: short stacking energy: -52.736
Base-Backbone interact. energy: -0.065
local terms energy: -68.236750
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -10.566
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: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -177.965414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.965414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.965414 (E_RNA)
where:
Base-Base interactions energy: -107.305
where: short stacking energy: -55.731
Base-Backbone interact. energy: -0.187
local terms energy: -70.473387
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -6.005
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: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -100.375583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.375583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.375583 (E_RNA)
where:
Base-Base interactions energy: -42.305
where: short stacking energy: -42.305
Base-Backbone interact. energy: -0.072
local terms energy: -57.998593
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -86.222134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.222134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.222134 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -19.960
Base-Backbone interact. energy: 0.425
local terms energy: -56.818247
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.825
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: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -86.780738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.780738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.780738 (E_RNA)
where:
Base-Base interactions energy: -30.298
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.779
local terms energy: -55.704229
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.765
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: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -81.227623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227623 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.189
local terms energy: -50.572034
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.853
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: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -244.120197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.120197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.120197 (E_RNA)
where:
Base-Base interactions energy: -163.727
where: short stacking energy: -74.595
Base-Backbone interact. energy: -0.950
local terms energy: -79.443440
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.084
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: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -237.551640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.551640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.551640 (E_RNA)
where:
Base-Base interactions energy: -161.857
where: short stacking energy: -70.873
Base-Backbone interact. energy: 0.349
local terms energy: -76.043706
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -235.089762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.089762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.089762 (E_RNA)
where:
Base-Base interactions energy: -164.005
where: short stacking energy: -65.295
Base-Backbone interact. energy: -0.240
local terms energy: -70.844806
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -12.300
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: 4, replica: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -205.702469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.702469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.702469 (E_RNA)
where:
Base-Base interactions energy: -132.396
where: short stacking energy: -66.996
Base-Backbone interact. energy: -0.072
local terms energy: -73.233770
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -182.783243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.783243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.783243 (E_RNA)
where:
Base-Base interactions energy: -116.184
where: short stacking energy: -50.407
Base-Backbone interact. energy: -1.014
local terms energy: -65.585058
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -13.888
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: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -177.480595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.480595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.480595 (E_RNA)
where:
Base-Base interactions energy: -108.866
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.132
local terms energy: -68.481964
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -86.380021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.380021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.380021 (E_RNA)
where:
Base-Base interactions energy: -30.210
where: short stacking energy: -30.357
Base-Backbone interact. energy: 1.928
local terms energy: -58.097941
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -91.992556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.992556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.992556 (E_RNA)
where:
Base-Base interactions energy: -41.775
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.089
local terms energy: -50.128311
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -89.926234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926234 (E_RNA)
where:
Base-Base interactions energy: -38.351
where: short stacking energy: -33.848
Base-Backbone interact. energy: 0.420
local terms energy: -51.995840
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: 1.078
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: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -88.140511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.140511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.140511 (E_RNA)
where:
Base-Base interactions energy: -32.155
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.496
local terms energy: -55.489961
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: 1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -239.371264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.371264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.371264 (E_RNA)
where:
Base-Base interactions energy: -157.473
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.297
local terms energy: -81.601630
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -236.295140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.295140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.295140 (E_RNA)
where:
Base-Base interactions energy: -161.869
where: short stacking energy: -63.844
Base-Backbone interact. energy: 1.403
local terms energy: -75.828646
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.671
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: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -253.448561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.448561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.448561 (E_RNA)
where:
Base-Base interactions energy: -174.437
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.235
local terms energy: -78.776682
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -201.630784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.630784 (E_RNA)
where:
Base-Base interactions energy: -123.078
where: short stacking energy: -54.896
Base-Backbone interact. energy: -0.008
local terms energy: -78.544979
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -182.201450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.201450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.201450 (E_RNA)
where:
Base-Base interactions energy: -122.367
where: short stacking energy: -55.281
Base-Backbone interact. energy: -0.228
local terms energy: -59.606217
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -158.731515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.731515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.731515 (E_RNA)
where:
Base-Base interactions energy: -106.059
where: short stacking energy: -43.452
Base-Backbone interact. energy: 0.103
local terms energy: -52.775938
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -114.477085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.477085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.477085 (E_RNA)
where:
Base-Base interactions energy: -50.391
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.066
local terms energy: -64.020401
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -130.904569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.904569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.904569 (E_RNA)
where:
Base-Base interactions energy: -76.757
where: short stacking energy: -50.720
Base-Backbone interact. energy: -0.593
local terms energy: -53.554024
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -6.994
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -96.271947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.271947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.271947 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.337
local terms energy: -58.577368
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: 0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -80.957609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.957609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.957609 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -19.427
Base-Backbone interact. energy: -0.333
local terms energy: -52.669385
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: 1.727
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: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -239.461739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.461739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.461739 (E_RNA)
where:
Base-Base interactions energy: -159.669
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.470
local terms energy: -79.322589
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -21.076
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: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -253.465435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.465435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.465435 (E_RNA)
where:
Base-Base interactions energy: -182.314
where: short stacking energy: -70.023
Base-Backbone interact. energy: -0.060
local terms energy: -71.091034
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -237.661692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.661692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.661692 (E_RNA)
where:
Base-Base interactions energy: -158.228
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.229
local terms energy: -79.204017
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -16.057
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: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -194.711543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.711543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.711543 (E_RNA)
where:
Base-Base interactions energy: -124.152
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.018
local terms energy: -70.542368
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -199.185831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.185831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.185831 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.108
local terms energy: -65.243725
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -170.548809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.548809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.548809 (E_RNA)
where:
Base-Base interactions energy: -106.292
where: short stacking energy: -54.351
Base-Backbone interact. energy: -0.023
local terms energy: -64.233693
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -97.457027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.457027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.457027 (E_RNA)
where:
Base-Base interactions energy: -45.008
where: short stacking energy: -32.776
Base-Backbone interact. energy: -0.066
local terms energy: -52.383641
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -123.019813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.019813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.019813 (E_RNA)
where:
Base-Base interactions energy: -64.971
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.691
local terms energy: -57.358537
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.032
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: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -84.900385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.900385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.900385 (E_RNA)
where:
Base-Base interactions energy: -37.488
where: short stacking energy: -33.204
Base-Backbone interact. energy: 2.080
local terms energy: -49.492090
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -11.889
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: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -81.135766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.135766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.135766 (E_RNA)
where:
Base-Base interactions energy: -23.827
where: short stacking energy: -23.827
Base-Backbone interact. energy: -0.294
local terms energy: -57.015494
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -255.072489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.072489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.072489 (E_RNA)
where:
Base-Base interactions energy: -176.330
where: short stacking energy: -70.488
Base-Backbone interact. energy: -0.124
local terms energy: -78.618357
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -235.108603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.108603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.108603 (E_RNA)
where:
Base-Base interactions energy: -159.074
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.341
local terms energy: -75.693898
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -238.421799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.421799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.421799 (E_RNA)
where:
Base-Base interactions energy: -172.839
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.185
local terms energy: -65.398027
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -187.717853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.717853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.717853 (E_RNA)
where:
Base-Base interactions energy: -106.147
where: short stacking energy: -62.359
Base-Backbone interact. energy: -0.306
local terms energy: -81.265233
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -9.899
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: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -179.496387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.496387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.496387 (E_RNA)
where:
Base-Base interactions energy: -119.071
where: short stacking energy: -47.897
Base-Backbone interact. energy: -0.207
local terms energy: -60.218285
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -7.150
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: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -187.541184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.541184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.541184 (E_RNA)
where:
Base-Base interactions energy: -124.151
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.295
local terms energy: -63.095471
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -96.792921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.792921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.792921 (E_RNA)
where:
Base-Base interactions energy: -44.678
where: short stacking energy: -44.678
Base-Backbone interact. energy: 1.359
local terms energy: -53.474260
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -86.844826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.844826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.844826 (E_RNA)
where:
Base-Base interactions energy: -32.746
where: short stacking energy: -19.071
Base-Backbone interact. energy: -1.023
local terms energy: -53.076022
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -85.317788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.317788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.317788 (E_RNA)
where:
Base-Base interactions energy: -37.509
where: short stacking energy: -25.067
Base-Backbone interact. energy: 0.762
local terms energy: -48.570625
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: 5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -82.631918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.631918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.631918 (E_RNA)
where:
Base-Base interactions energy: -26.787
where: short stacking energy: -23.856
Base-Backbone interact. energy: 0.212
local terms energy: -56.056257
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -251.794456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.794456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.794456 (E_RNA)
where:
Base-Base interactions energy: -171.139
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.714
local terms energy: -79.941752
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -238.056411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.056411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.056411 (E_RNA)
where:
Base-Base interactions energy: -155.953
where: short stacking energy: -70.597
Base-Backbone interact. energy: -1.018
local terms energy: -81.085345
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -236.449878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.449878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.449878 (E_RNA)
where:
Base-Base interactions energy: -163.556
where: short stacking energy: -71.381
Base-Backbone interact. energy: -1.294
local terms energy: -71.600205
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -197.463820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.463820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.463820 (E_RNA)
where:
Base-Base interactions energy: -130.117
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.418
local terms energy: -66.929023
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -175.777492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.777492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.777492 (E_RNA)
where:
Base-Base interactions energy: -114.976
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.115
local terms energy: -60.686336
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -175.052422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.052422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.052422 (E_RNA)
where:
Base-Base interactions energy: -107.401
where: short stacking energy: -44.411
Base-Backbone interact. energy: -0.192
local terms energy: -67.459298
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -12.769
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: 203
Temperature: 1.200000
Total energy: -102.043683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.043683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.043683 (E_RNA)
where:
Base-Base interactions energy: -51.502
where: short stacking energy: -34.611
Base-Backbone interact. energy: -0.067
local terms energy: -50.474431
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -117.461305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.461305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.461305 (E_RNA)
where:
Base-Base interactions energy: -68.961
where: short stacking energy: -35.971
Base-Backbone interact. energy: 3.547
local terms energy: -52.047763
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -83.019300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.019300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.019300 (E_RNA)
where:
Base-Base interactions energy: -25.617
where: short stacking energy: -21.732
Base-Backbone interact. energy: -0.137
local terms energy: -57.264878
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -92.772706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.772706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.772706 (E_RNA)
where:
Base-Base interactions energy: -35.460
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.113
local terms energy: -57.199879
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -12.097
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: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -251.854725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.854725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.854725 (E_RNA)
where:
Base-Base interactions energy: -167.468
where: short stacking energy: -83.148
Base-Backbone interact. energy: -1.149
local terms energy: -83.238414
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -21.550
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: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -237.521852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.521852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.521852 (E_RNA)
where:
Base-Base interactions energy: -160.106
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.267
local terms energy: -77.148919
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -21.866
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: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -230.109754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.109754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.109754 (E_RNA)
where:
Base-Base interactions energy: -152.825
where: short stacking energy: -77.248
Base-Backbone interact. energy: -0.214
local terms energy: -77.070138
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -9.293
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: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -192.826319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826319 (E_RNA)
where:
Base-Base interactions energy: -120.359
where: short stacking energy: -53.297
Base-Backbone interact. energy: -0.039
local terms energy: -72.427656
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -179.875159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.875159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.875159 (E_RNA)
where:
Base-Base interactions energy: -117.083
where: short stacking energy: -51.002
Base-Backbone interact. energy: -0.491
local terms energy: -62.300994
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -179.444711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.444711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.444711 (E_RNA)
where:
Base-Base interactions energy: -110.361
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.251
local terms energy: -68.832447
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -104.259916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.259916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.259916 (E_RNA)
where:
Base-Base interactions energy: -48.696
where: short stacking energy: -40.006
Base-Backbone interact. energy: -0.653
local terms energy: -54.910325
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -10.181
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -8.672
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: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -85.809433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.809433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.809433 (E_RNA)
where:
Base-Base interactions energy: -36.082
where: short stacking energy: -28.326
Base-Backbone interact. energy: -1.187
local terms energy: -48.540195
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -86.877409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.877409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.877409 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -26.455
Base-Backbone interact. energy: -0.904
local terms energy: -48.868481
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -93.157634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.157634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.157634 (E_RNA)
where:
Base-Base interactions energy: -39.459
where: short stacking energy: -38.774
Base-Backbone interact. energy: -0.126
local terms energy: -53.572715
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -253.353329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.353329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.353329 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -79.366
Base-Backbone interact. energy: -0.509
local terms energy: -80.654511
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -241.090835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.090835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.090835 (E_RNA)
where:
Base-Base interactions energy: -168.100
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.345
local terms energy: -72.645592
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -233.524720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.524720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.524720 (E_RNA)
where:
Base-Base interactions energy: -154.805
where: short stacking energy: -64.467
Base-Backbone interact. energy: -0.203
local terms energy: -78.517124
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -13.789
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: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -226.838424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.838424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.838424 (E_RNA)
where:
Base-Base interactions energy: -144.896
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.610
local terms energy: -81.332529
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -18.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -190.349724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.349724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.349724 (E_RNA)
where:
Base-Base interactions energy: -112.463
where: short stacking energy: -54.883
Base-Backbone interact. energy: 1.084
local terms energy: -78.970992
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -11.184
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: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -174.356850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.356850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.356850 (E_RNA)
where:
Base-Base interactions energy: -104.222
where: short stacking energy: -46.505
Base-Backbone interact. energy: -0.570
local terms energy: -69.564228
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -108.203947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.203947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.203947 (E_RNA)
where:
Base-Base interactions energy: -61.325
where: short stacking energy: -33.853
Base-Backbone interact. energy: -0.034
local terms energy: -46.844527
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -107.229051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.229051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.229051 (E_RNA)
where:
Base-Base interactions energy: -44.716
where: short stacking energy: -42.818
Base-Backbone interact. energy: -0.006
local terms energy: -62.506159
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -98.267549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.267549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.267549 (E_RNA)
where:
Base-Base interactions energy: -44.063
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.866
local terms energy: -53.338255
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -7.683
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: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -93.036635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.036635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.036635 (E_RNA)
where:
Base-Base interactions energy: -35.942
where: short stacking energy: -24.090
Base-Backbone interact. energy: -0.505
local terms energy: -56.590443
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -241.799068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.799068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.799068 (E_RNA)
where:
Base-Base interactions energy: -159.678
where: short stacking energy: -71.327
Base-Backbone interact. energy: -0.069
local terms energy: -82.051528
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -236.244054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.244054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.244054 (E_RNA)
where:
Base-Base interactions energy: -148.630
where: short stacking energy: -66.688
Base-Backbone interact. energy: -1.800
local terms energy: -85.814230
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -240.119570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.119570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.119570 (E_RNA)
where:
Base-Base interactions energy: -160.747
where: short stacking energy: -66.679
Base-Backbone interact. energy: -1.170
local terms energy: -78.202674
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -224.927088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.927088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.927088 (E_RNA)
where:
Base-Base interactions energy: -141.953
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.058
local terms energy: -82.916184
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -181.342644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.342644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.342644 (E_RNA)
where:
Base-Base interactions energy: -110.185
where: short stacking energy: -52.959
Base-Backbone interact. energy: -0.087
local terms energy: -71.070567
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -180.864207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.864207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.864207 (E_RNA)
where:
Base-Base interactions energy: -110.053
where: short stacking energy: -49.501
Base-Backbone interact. energy: -0.151
local terms energy: -70.660573
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -111.837466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.837466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.837466 (E_RNA)
where:
Base-Base interactions energy: -43.240
where: short stacking energy: -40.944
Base-Backbone interact. energy: -0.253
local terms energy: -68.343559
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -10.943
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: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -95.512382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.512382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.512382 (E_RNA)
where:
Base-Base interactions energy: -43.842
where: short stacking energy: -32.260
Base-Backbone interact. energy: 2.119
local terms energy: -53.789767
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -85.257523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.257523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.257523 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -29.676
Base-Backbone interact. energy: 0.025
local terms energy: -52.696770
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -6.836
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: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -90.277697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.277697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.277697 (E_RNA)
where:
Base-Base interactions energy: -44.575
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.313
local terms energy: -45.389999
where:
bonds (distance) C4'-P energy: -6.420
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -247.393736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.393736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.393736 (E_RNA)
where:
Base-Base interactions energy: -173.474
where: short stacking energy: -75.348
Base-Backbone interact. energy: -0.304
local terms energy: -73.615819
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -245.070802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.070802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.070802 (E_RNA)
where:
Base-Base interactions energy: -160.504
where: short stacking energy: -81.494
Base-Backbone interact. energy: 0.111
local terms energy: -84.677626
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -7.790
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: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -246.119321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.119321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.119321 (E_RNA)
where:
Base-Base interactions energy: -160.589
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.323
local terms energy: -85.207118
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -215.236054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.236054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.236054 (E_RNA)
where:
Base-Base interactions energy: -145.707
where: short stacking energy: -60.878
Base-Backbone interact. energy: 2.140
local terms energy: -71.669243
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -183.847674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.847674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.847674 (E_RNA)
where:
Base-Base interactions energy: -108.593
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.562
local terms energy: -74.692215
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.568
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: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -180.174982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.174982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.174982 (E_RNA)
where:
Base-Base interactions energy: -109.189
where: short stacking energy: -59.663
Base-Backbone interact. energy: -0.046
local terms energy: -70.939764
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -89.420646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.420646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.420646 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -30.858
Base-Backbone interact. energy: -0.489
local terms energy: -54.164573
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -100.079678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.079678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.079678 (E_RNA)
where:
Base-Base interactions energy: -44.402
where: short stacking energy: -37.211
Base-Backbone interact. energy: -0.142
local terms energy: -55.535406
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -81.413840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.413840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.413840 (E_RNA)
where:
Base-Base interactions energy: -40.216
where: short stacking energy: -27.486
Base-Backbone interact. energy: 0.507
local terms energy: -41.704750
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -7.922
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -1.083
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: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -83.922900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.922900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.922900 (E_RNA)
where:
Base-Base interactions energy: -31.708
where: short stacking energy: -31.708
Base-Backbone interact. energy: 0.534
local terms energy: -52.749416
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -252.215684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.215684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.215684 (E_RNA)
where:
Base-Base interactions energy: -170.494
where: short stacking energy: -78.913
Base-Backbone interact. energy: -0.262
local terms energy: -81.458957
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -238.542283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.542283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.542283 (E_RNA)
where:
Base-Base interactions energy: -157.206
where: short stacking energy: -63.294
Base-Backbone interact. energy: 0.128
local terms energy: -81.464218
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -238.586883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.586883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.586883 (E_RNA)
where:
Base-Base interactions energy: -162.551
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.960
local terms energy: -75.075700
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -17.815
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: 208
Temperature: 1.050000
Total energy: -228.786847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.786847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.786847 (E_RNA)
where:
Base-Base interactions energy: -155.969
where: short stacking energy: -68.942
Base-Backbone interact. energy: 0.198
local terms energy: -73.016092
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -20.071
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: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -202.073652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.073652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.073652 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -62.597
Base-Backbone interact. energy: -1.370
local terms energy: -71.925968
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -10.563
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: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -163.508097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.508097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.508097 (E_RNA)
where:
Base-Base interactions energy: -95.536
where: short stacking energy: -48.615
Base-Backbone interact. energy: -0.205
local terms energy: -67.767373
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -103.562455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.562455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.562455 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -36.896
Base-Backbone interact. energy: -0.077
local terms energy: -66.589306
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -93.108432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.108432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.108432 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -25.112
Base-Backbone interact. energy: -0.111
local terms energy: -49.316797
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -79.861347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.861347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.861347 (E_RNA)
where:
Base-Base interactions energy: -28.153
where: short stacking energy: -11.627
Base-Backbone interact. energy: -0.491
local terms energy: -51.217538
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: 3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -84.163321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.163321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.163321 (E_RNA)
where:
Base-Base interactions energy: -26.440
where: short stacking energy: -27.210
Base-Backbone interact. energy: -0.226
local terms energy: -57.497089
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -257.212488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.212488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.212488 (E_RNA)
where:
Base-Base interactions energy: -178.882
where: short stacking energy: -77.312
Base-Backbone interact. energy: -0.337
local terms energy: -77.993499
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -242.888044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.888044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.888044 (E_RNA)
where:
Base-Base interactions energy: -167.632
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.441
local terms energy: -74.815059
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -229.131135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.131135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.131135 (E_RNA)
where:
Base-Base interactions energy: -149.434
where: short stacking energy: -70.878
Base-Backbone interact. energy: -1.014
local terms energy: -78.682729
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -12.363
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: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -199.602469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.602469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.602469 (E_RNA)
where:
Base-Base interactions energy: -127.196
where: short stacking energy: -62.270
Base-Backbone interact. energy: -0.004
local terms energy: -72.401892
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -226.837043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.837043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.837043 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -68.532
Base-Backbone interact. energy: -0.284
local terms energy: -76.826923
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -142.605682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.605682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.605682 (E_RNA)
where:
Base-Base interactions energy: -67.206
where: short stacking energy: -46.121
Base-Backbone interact. energy: 0.556
local terms energy: -75.956306
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -149.079435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.079435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.079435 (E_RNA)
where:
Base-Base interactions energy: -90.742
where: short stacking energy: -44.382
Base-Backbone interact. energy: 0.820
local terms energy: -59.156591
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -9.468
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: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -104.586389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.586389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.586389 (E_RNA)
where:
Base-Base interactions energy: -53.332
where: short stacking energy: -38.606
Base-Backbone interact. energy: -0.552
local terms energy: -50.702323
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -81.409924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.409924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.409924 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -18.492
Base-Backbone interact. energy: 0.263
local terms energy: -49.754914
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -95.208505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.208505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.208505 (E_RNA)
where:
Base-Base interactions energy: -44.815
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.130
local terms energy: -50.263023
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -249.738978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.738978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.738978 (E_RNA)
where:
Base-Base interactions energy: -164.519
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.450
local terms energy: -84.770188
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -241.061279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.061279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.061279 (E_RNA)
where:
Base-Base interactions energy: -171.106
where: short stacking energy: -71.214
Base-Backbone interact. energy: -0.898
local terms energy: -69.057402
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -234.328732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.328732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.328732 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -70.830
Base-Backbone interact. energy: -0.898
local terms energy: -83.049253
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -207.246929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.246929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.246929 (E_RNA)
where:
Base-Base interactions energy: -129.948
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.037
local terms energy: -77.261738
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -228.389827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.389827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.389827 (E_RNA)
where:
Base-Base interactions energy: -145.678
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.309
local terms energy: -82.402632
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -98.805640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.805640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.805640 (E_RNA)
where:
Base-Base interactions energy: -41.912
where: short stacking energy: -38.734
Base-Backbone interact. energy: -0.384
local terms energy: -56.510186
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -7.724
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: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -165.964838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.964838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.964838 (E_RNA)
where:
Base-Base interactions energy: -104.511
where: short stacking energy: -50.487
Base-Backbone interact. energy: -1.229
local terms energy: -60.225384
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.649
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: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -99.945804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.945804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.945804 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -46.624
Base-Backbone interact. energy: -0.126
local terms energy: -53.196076
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -86.956696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.956696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.956696 (E_RNA)
where:
Base-Base interactions energy: -38.355
where: short stacking energy: -34.128
Base-Backbone interact. energy: -0.077
local terms energy: -48.525085
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -90.820060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.820060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.820060 (E_RNA)
where:
Base-Base interactions energy: -35.903
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.225
local terms energy: -54.692171
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -245.541566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.541566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.541566 (E_RNA)
where:
Base-Base interactions energy: -165.000
where: short stacking energy: -78.603
Base-Backbone interact. energy: -0.220
local terms energy: -80.320787
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -12.408
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: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -244.886856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.886856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.886856 (E_RNA)
where:
Base-Base interactions energy: -162.765
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.687
local terms energy: -81.434948
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -230.012188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.012188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.012188 (E_RNA)
where:
Base-Base interactions energy: -159.394
where: short stacking energy: -62.890
Base-Backbone interact. energy: -0.267
local terms energy: -70.350869
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -243.564789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.564789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.564789 (E_RNA)
where:
Base-Base interactions energy: -165.956
where: short stacking energy: -74.341
Base-Backbone interact. energy: -0.236
local terms energy: -77.373117
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -19.912
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: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -207.737980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.737980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.737980 (E_RNA)
where:
Base-Base interactions energy: -133.053
where: short stacking energy: -74.203
Base-Backbone interact. energy: -0.007
local terms energy: -74.677641
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -180.565371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.565371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.565371 (E_RNA)
where:
Base-Base interactions energy: -104.473
where: short stacking energy: -51.395
Base-Backbone interact. energy: -0.021
local terms energy: -76.072025
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -9.914
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: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -96.332335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.332335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.332335 (E_RNA)
where:
Base-Base interactions energy: -32.443
where: short stacking energy: -32.443
Base-Backbone interact. energy: -0.099
local terms energy: -63.789675
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -12.124
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: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -95.185593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.185593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.185593 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -36.626
Base-Backbone interact. energy: -0.007
local terms energy: -54.856896
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -85.198187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.198187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.198187 (E_RNA)
where:
Base-Base interactions energy: -27.803
where: short stacking energy: -27.803
Base-Backbone interact. energy: -0.060
local terms energy: -57.334394
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -86.626071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.626071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.626071 (E_RNA)
where:
Base-Base interactions energy: -22.854
where: short stacking energy: -22.854
Base-Backbone interact. energy: -0.024
local terms energy: -63.747616
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -251.383334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.383334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.383334 (E_RNA)
where:
Base-Base interactions energy: -172.683
where: short stacking energy: -74.983
Base-Backbone interact. energy: -0.665
local terms energy: -78.034681
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -241.947272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.947272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.947272 (E_RNA)
where:
Base-Base interactions energy: -158.776
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.986
local terms energy: -82.185155
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -20.823
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: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -239.087047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.087047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.087047 (E_RNA)
where:
Base-Base interactions energy: -157.698
where: short stacking energy: -73.176
Base-Backbone interact. energy: -1.223
local terms energy: -80.166499
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -230.594843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.594843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.594843 (E_RNA)
where:
Base-Base interactions energy: -157.113
where: short stacking energy: -77.161
Base-Backbone interact. energy: -0.210
local terms energy: -73.271366
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -185.457464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.457464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.457464 (E_RNA)
where:
Base-Base interactions energy: -117.749
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.014
local terms energy: -67.694508
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -8.290
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: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -172.739533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.739533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.739533 (E_RNA)
where:
Base-Base interactions energy: -103.640
where: short stacking energy: -47.998
Base-Backbone interact. energy: 0.532
local terms energy: -69.631318
where:
bonds (distance) C4'-P energy: -7.777
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -15.709
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: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -100.525642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.525642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.525642 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -40.269
Base-Backbone interact. energy: -0.101
local terms energy: -59.138523
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -2.635
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: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -102.002705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.002705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.002705 (E_RNA)
where:
Base-Base interactions energy: -37.370
where: short stacking energy: -37.370
Base-Backbone interact. energy: -0.106
local terms energy: -64.527331
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.783219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.783219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.783219 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -20.210
Base-Backbone interact. energy: -0.572
local terms energy: -47.079897
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -80.871265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.871265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.871265 (E_RNA)
where:
Base-Base interactions energy: -25.156
where: short stacking energy: -23.117
Base-Backbone interact. energy: -0.153
local terms energy: -55.561856
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -6.669
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: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -235.713623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.713623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.713623 (E_RNA)
where:
Base-Base interactions energy: -161.730
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.100
local terms energy: -73.883824
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -238.477602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.477602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.477602 (E_RNA)
where:
Base-Base interactions energy: -160.902
where: short stacking energy: -70.731
Base-Backbone interact. energy: -0.206
local terms energy: -77.369244
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -11.909
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: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -235.693565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.693565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.693565 (E_RNA)
where:
Base-Base interactions energy: -157.160
where: short stacking energy: -60.996
Base-Backbone interact. energy: -0.536
local terms energy: -77.997079
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -222.200930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.200930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.200930 (E_RNA)
where:
Base-Base interactions energy: -150.166
where: short stacking energy: -65.115
Base-Backbone interact. energy: -0.060
local terms energy: -71.975471
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -185.120692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.120692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.120692 (E_RNA)
where:
Base-Base interactions energy: -114.898
where: short stacking energy: -53.522
Base-Backbone interact. energy: -0.155
local terms energy: -70.067901
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -172.710643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.710643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.710643 (E_RNA)
where:
Base-Base interactions energy: -108.422
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.291
local terms energy: -63.997710
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -110.638611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.638611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.638611 (E_RNA)
where:
Base-Base interactions energy: -53.727
where: short stacking energy: -34.550
Base-Backbone interact. energy: -0.100
local terms energy: -56.811762
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -5.352
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: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -90.397785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.397785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.397785 (E_RNA)
where:
Base-Base interactions energy: -27.111
where: short stacking energy: -25.832
Base-Backbone interact. energy: -0.034
local terms energy: -63.253001
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -96.369883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369883 (E_RNA)
where:
Base-Base interactions energy: -38.808
where: short stacking energy: -35.362
Base-Backbone interact. energy: -0.415
local terms energy: -57.146274
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -6.035
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: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -105.168958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.168958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.168958 (E_RNA)
where:
Base-Base interactions energy: -55.899
where: short stacking energy: -33.466
Base-Backbone interact. energy: -0.158
local terms energy: -49.111534
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -240.051809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.051809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.051809 (E_RNA)
where:
Base-Base interactions energy: -162.763
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.199
local terms energy: -77.089432
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -233.375336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.375336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.375336 (E_RNA)
where:
Base-Base interactions energy: -159.313
where: short stacking energy: -78.844
Base-Backbone interact. energy: -0.122
local terms energy: -73.940706
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -12.422
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -241.908393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.908393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.908393 (E_RNA)
where:
Base-Base interactions energy: -162.522
where: short stacking energy: -72.866
Base-Backbone interact. energy: 0.244
local terms energy: -79.630408
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -227.126610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.126610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.126610 (E_RNA)
where:
Base-Base interactions energy: -149.918
where: short stacking energy: -63.799
Base-Backbone interact. energy: -1.252
local terms energy: -75.956587
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -199.368928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.368928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.368928 (E_RNA)
where:
Base-Base interactions energy: -126.392
where: short stacking energy: -60.352
Base-Backbone interact. energy: 0.402
local terms energy: -73.378846
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -175.885209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.885209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.885209 (E_RNA)
where:
Base-Base interactions energy: -103.612
where: short stacking energy: -49.063
Base-Backbone interact. energy: -0.055
local terms energy: -72.218048
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -106.062378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.062378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.062378 (E_RNA)
where:
Base-Base interactions energy: -56.884
where: short stacking energy: -31.620
Base-Backbone interact. energy: -0.314
local terms energy: -48.864321
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -89.996055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.996055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.996055 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.463
local terms energy: -53.331494
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -6.634
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: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -98.273329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.273329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.273329 (E_RNA)
where:
Base-Base interactions energy: -46.925
where: short stacking energy: -26.423
Base-Backbone interact. energy: -0.130
local terms energy: -51.218214
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: 1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -80.160779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.160779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.160779 (E_RNA)
where:
Base-Base interactions energy: -27.048
where: short stacking energy: -24.143
Base-Backbone interact. energy: -0.016
local terms energy: -53.096553
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 2.286
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: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -240.695103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.695103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.695103 (E_RNA)
where:
Base-Base interactions energy: -171.326
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.166
local terms energy: -69.202847
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -243.438203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.438203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.438203 (E_RNA)
where:
Base-Base interactions energy: -159.242
where: short stacking energy: -70.409
Base-Backbone interact. energy: -0.845
local terms energy: -83.351592
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -212.461134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.461134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.461134 (E_RNA)
where:
Base-Base interactions energy: -135.407
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.196
local terms energy: -76.858119
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -190.054066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.054066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.054066 (E_RNA)
where:
Base-Base interactions energy: -133.559
where: short stacking energy: -48.006
Base-Backbone interact. energy: -0.910
local terms energy: -55.584974
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -8.828
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: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -223.660458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.660458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.660458 (E_RNA)
where:
Base-Base interactions energy: -153.720
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.444
local terms energy: -69.496741
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -13.009
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: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -163.288415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.288415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.288415 (E_RNA)
where:
Base-Base interactions energy: -105.494
where: short stacking energy: -54.722
Base-Backbone interact. energy: 0.059
local terms energy: -57.853382
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -9.334
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: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -126.486107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.486107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.486107 (E_RNA)
where:
Base-Base interactions energy: -60.998
where: short stacking energy: -37.050
Base-Backbone interact. energy: -0.277
local terms energy: -65.211341
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -2.974
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: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -88.746407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.746407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.746407 (E_RNA)
where:
Base-Base interactions energy: -35.725
where: short stacking energy: -32.145
Base-Backbone interact. energy: -0.120
local terms energy: -52.900995
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -99.191661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.191661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.191661 (E_RNA)
where:
Base-Base interactions energy: -37.520
where: short stacking energy: -37.520
Base-Backbone interact. energy: -0.019
local terms energy: -61.653081
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -88.457071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.457071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.457071 (E_RNA)
where:
Base-Base interactions energy: -28.011
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.925
local terms energy: -59.520978
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -240.985800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.985800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.985800 (E_RNA)
where:
Base-Base interactions energy: -165.998
where: short stacking energy: -76.357
Base-Backbone interact. energy: -0.289
local terms energy: -74.698949
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -242.644053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.644053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.644053 (E_RNA)
where:
Base-Base interactions energy: -165.414
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.020
local terms energy: -77.209847
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -203.801497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.801497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.801497 (E_RNA)
where:
Base-Base interactions energy: -122.572
where: short stacking energy: -60.279
Base-Backbone interact. energy: -0.031
local terms energy: -81.199209
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -12.250
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: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -220.339278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.339278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.339278 (E_RNA)
where:
Base-Base interactions energy: -149.915
where: short stacking energy: -57.731
Base-Backbone interact. energy: -0.373
local terms energy: -70.051361
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -228.374514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.374514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.374514 (E_RNA)
where:
Base-Base interactions energy: -156.410
where: short stacking energy: -73.745
Base-Backbone interact. energy: -0.205
local terms energy: -71.759724
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -169.964206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.964206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.964206 (E_RNA)
where:
Base-Base interactions energy: -109.126
where: short stacking energy: -48.711
Base-Backbone interact. energy: -0.174
local terms energy: -60.664946
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.780
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: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -114.683387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.683387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.683387 (E_RNA)
where:
Base-Base interactions energy: -58.488
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.530
local terms energy: -55.664817
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -99.625476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.625476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.625476 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -31.541
Base-Backbone interact. energy: -0.590
local terms energy: -51.425663
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -94.099764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.099764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.099764 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -29.221
Base-Backbone interact. energy: -0.038
local terms energy: -62.491229
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -14.049
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: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -92.737770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.737770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.737770 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -32.090
Base-Backbone interact. energy: -0.150
local terms energy: -56.387445
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -241.374347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.374347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.374347 (E_RNA)
where:
Base-Base interactions energy: -162.331
where: short stacking energy: -66.696
Base-Backbone interact. energy: -0.370
local terms energy: -78.673590
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -241.119382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.119382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.119382 (E_RNA)
where:
Base-Base interactions energy: -164.548
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.371
local terms energy: -76.200191
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -10.519
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: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -205.822795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.822795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.822795 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -62.589
Base-Backbone interact. energy: -0.019
local terms energy: -74.940687
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -237.464173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.464173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.464173 (E_RNA)
where:
Base-Base interactions energy: -158.033
where: short stacking energy: -66.842
Base-Backbone interact. energy: -0.396
local terms energy: -79.035609
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -226.598147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.598147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.598147 (E_RNA)
where:
Base-Base interactions energy: -146.956
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.424
local terms energy: -79.217849
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -11.060
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: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -138.911115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.911115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.911115 (E_RNA)
where:
Base-Base interactions energy: -81.345
where: short stacking energy: -42.176
Base-Backbone interact. energy: -0.428
local terms energy: -57.137662
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -101.009423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.009423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.009423 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -37.092
Base-Backbone interact. energy: -1.243
local terms energy: -62.675000
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -94.285364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.285364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.285364 (E_RNA)
where:
Base-Base interactions energy: -30.679
where: short stacking energy: -28.459
Base-Backbone interact. energy: -0.761
local terms energy: -62.845392
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -103.202254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.202254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.202254 (E_RNA)
where:
Base-Base interactions energy: -43.363
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.038
local terms energy: -59.802070
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -76.211534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.211534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.211534 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -23.124
Base-Backbone interact. energy: -0.447
local terms energy: -51.683984
where:
bonds (distance) C4'-P energy: -7.208
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -241.567575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.567575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.567575 (E_RNA)
where:
Base-Base interactions energy: -164.334
where: short stacking energy: -72.988
Base-Backbone interact. energy: 0.977
local terms energy: -78.211349
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -238.264126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.264126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.264126 (E_RNA)
where:
Base-Base interactions energy: -164.128
where: short stacking energy: -67.893
Base-Backbone interact. energy: -0.845
local terms energy: -73.291159
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -15.368
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: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -232.251140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.251140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.251140 (E_RNA)
where:
Base-Base interactions energy: -151.995
where: short stacking energy: -68.470
Base-Backbone interact. energy: -1.470
local terms energy: -78.785822
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.642
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -197.474395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.474395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.474395 (E_RNA)
where:
Base-Base interactions energy: -130.388
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.782
local terms energy: -66.304074
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -227.490925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.490925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.490925 (E_RNA)
where:
Base-Base interactions energy: -155.007
where: short stacking energy: -67.539
Base-Backbone interact. energy: -0.273
local terms energy: -72.210695
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -165.845751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.845751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.845751 (E_RNA)
where:
Base-Base interactions energy: -100.993
where: short stacking energy: -39.579
Base-Backbone interact. energy: 1.556
local terms energy: -66.408609
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -8.676
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -101.188184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.188184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.188184 (E_RNA)
where:
Base-Base interactions energy: -40.228
where: short stacking energy: -36.807
Base-Backbone interact. energy: -0.068
local terms energy: -60.891559
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -98.116372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.116372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.116372 (E_RNA)
where:
Base-Base interactions energy: -42.291
where: short stacking energy: -40.989
Base-Backbone interact. energy: 0.823
local terms energy: -56.648363
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -88.234189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234189 (E_RNA)
where:
Base-Base interactions energy: -31.983
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.106
local terms energy: -56.145514
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.010
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: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -86.822883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.822883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.822883 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.239
local terms energy: -52.499211
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -5.596
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: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -256.926235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.926235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.926235 (E_RNA)
where:
Base-Base interactions energy: -180.190
where: short stacking energy: -75.271
Base-Backbone interact. energy: 0.134
local terms energy: -76.870862
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -245.216899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.216899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.216899 (E_RNA)
where:
Base-Base interactions energy: -162.298
where: short stacking energy: -78.281
Base-Backbone interact. energy: -0.346
local terms energy: -82.573597
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -233.333184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.333184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.333184 (E_RNA)
where:
Base-Base interactions energy: -157.195
where: short stacking energy: -70.267
Base-Backbone interact. energy: -0.091
local terms energy: -76.047376
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -225.713357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.713357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.713357 (E_RNA)
where:
Base-Base interactions energy: -144.577
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.187
local terms energy: -80.949057
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -185.570752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.570752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.570752 (E_RNA)
where:
Base-Base interactions energy: -115.281
where: short stacking energy: -64.421
Base-Backbone interact. energy: -0.286
local terms energy: -70.003568
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -178.881574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.881574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.881574 (E_RNA)
where:
Base-Base interactions energy: -113.571
where: short stacking energy: -48.803
Base-Backbone interact. energy: -0.320
local terms energy: -64.990678
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -12.354
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: 219
Temperature: 1.200000
Total energy: -104.071925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.071925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.071925 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -39.137
Base-Backbone interact. energy: 0.108
local terms energy: -64.718611
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -103.348453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.348453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.348453 (E_RNA)
where:
Base-Base interactions energy: -43.860
where: short stacking energy: -36.187
Base-Backbone interact. energy: -1.336
local terms energy: -58.152459
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -88.939337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.939337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.939337 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.101
local terms energy: -52.967945
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -7.434
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -85.680742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680742 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -16.946
Base-Backbone interact. energy: -0.322
local terms energy: -35.760238
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: 6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -249.133512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.133512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.133512 (E_RNA)
where:
Base-Base interactions energy: -175.269
where: short stacking energy: -66.946
Base-Backbone interact. energy: -0.461
local terms energy: -73.404034
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -236.873648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.873648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.873648 (E_RNA)
where:
Base-Base interactions energy: -165.103
where: short stacking energy: -55.245
Base-Backbone interact. energy: 0.106
local terms energy: -71.876876
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -235.905941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.905941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.905941 (E_RNA)
where:
Base-Base interactions energy: -164.365
where: short stacking energy: -67.041
Base-Backbone interact. energy: 0.042
local terms energy: -71.582278
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -11.859
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: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -221.224615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.224615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.224615 (E_RNA)
where:
Base-Base interactions energy: -145.882
where: short stacking energy: -52.643
Base-Backbone interact. energy: -0.042
local terms energy: -75.300344
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.304
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: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -197.610035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.610035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610035 (E_RNA)
where:
Base-Base interactions energy: -122.543
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.013
local terms energy: -75.053508
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -188.587559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.587559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.587559 (E_RNA)
where:
Base-Base interactions energy: -119.841
where: short stacking energy: -61.072
Base-Backbone interact. energy: 0.303
local terms energy: -69.049291
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -96.247898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.247898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.247898 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -40.279
Base-Backbone interact. energy: -0.130
local terms energy: -54.656564
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -91.918623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.918623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.918623 (E_RNA)
where:
Base-Base interactions energy: -36.116
where: short stacking energy: -30.784
Base-Backbone interact. energy: 0.149
local terms energy: -55.951700
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -97.634720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.634720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.634720 (E_RNA)
where:
Base-Base interactions energy: -36.475
where: short stacking energy: -30.834
Base-Backbone interact. energy: -0.627
local terms energy: -60.533210
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -12.348
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: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -79.513457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.513457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.513457 (E_RNA)
where:
Base-Base interactions energy: -26.714
where: short stacking energy: -24.843
Base-Backbone interact. energy: 0.045
local terms energy: -52.844796
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -5.511
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: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -253.740549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.740549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.740549 (E_RNA)
where:
Base-Base interactions energy: -171.651
where: short stacking energy: -73.872
Base-Backbone interact. energy: -0.185
local terms energy: -81.904609
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -20.469
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: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -240.172949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.172949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.172949 (E_RNA)
where:
Base-Base interactions energy: -159.411
where: short stacking energy: -75.586
Base-Backbone interact. energy: 0.768
local terms energy: -81.530462
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -237.106486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.106486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.106486 (E_RNA)
where:
Base-Base interactions energy: -162.722
where: short stacking energy: -78.779
Base-Backbone interact. energy: -1.605
local terms energy: -72.779853
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -199.618735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.618735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.618735 (E_RNA)
where:
Base-Base interactions energy: -124.079
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.002
local terms energy: -75.538282
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -213.842066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.842066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842066 (E_RNA)
where:
Base-Base interactions energy: -147.264
where: short stacking energy: -68.274
Base-Backbone interact. energy: -0.768
local terms energy: -65.809760
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -189.778146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.778146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.778146 (E_RNA)
where:
Base-Base interactions energy: -111.319
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.053
local terms energy: -78.406656
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -100.055662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.055662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.055662 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -40.143
Base-Backbone interact. energy: -0.126
local terms energy: -59.786655
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.369
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: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -87.767544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767544 (E_RNA)
where:
Base-Base interactions energy: -28.631
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.349
local terms energy: -58.787278
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -106.987727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.987727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.987727 (E_RNA)
where:
Base-Base interactions energy: -53.387
where: short stacking energy: -35.967
Base-Backbone interact. energy: -0.310
local terms energy: -53.290638
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -80.960910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.960910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.960910 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.328
local terms energy: -50.027396
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -1.611
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: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -249.949481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.949481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.949481 (E_RNA)
where:
Base-Base interactions energy: -170.730
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.403
local terms energy: -78.817091
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -240.044152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.044152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.044152 (E_RNA)
where:
Base-Base interactions energy: -164.896
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.348
local terms energy: -74.800880
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -234.512614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.512614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.512614 (E_RNA)
where:
Base-Base interactions energy: -153.028
where: short stacking energy: -70.731
Base-Backbone interact. energy: -0.371
local terms energy: -81.113595
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -21.894
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: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -203.804459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804459 (E_RNA)
where:
Base-Base interactions energy: -135.004
where: short stacking energy: -52.573
Base-Backbone interact. energy: -0.163
local terms energy: -68.637159
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -229.695979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.695979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.695979 (E_RNA)
where:
Base-Base interactions energy: -157.357
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.115
local terms energy: -72.224360
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -12.587
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: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -182.143481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.143481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.143481 (E_RNA)
where:
Base-Base interactions energy: -117.693
where: short stacking energy: -53.441
Base-Backbone interact. energy: -0.011
local terms energy: -64.439498
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.752
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: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -95.796693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.796693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.796693 (E_RNA)
where:
Base-Base interactions energy: -35.337
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.154
local terms energy: -60.305664
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -4.913
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: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -95.963682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.963682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.963682 (E_RNA)
where:
Base-Base interactions energy: -38.078
where: short stacking energy: -37.295
Base-Backbone interact. energy: -0.104
local terms energy: -57.781427
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -88.757364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.757364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.757364 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -25.504
Base-Backbone interact. energy: -0.218
local terms energy: -57.344705
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -78.630521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.630521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.630521 (E_RNA)
where:
Base-Base interactions energy: -26.283
where: short stacking energy: -23.551
Base-Backbone interact. energy: 0.388
local terms energy: -52.735909
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -9.626
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: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -248.616947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.616947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.616947 (E_RNA)
where:
Base-Base interactions energy: -174.688
where: short stacking energy: -72.534
Base-Backbone interact. energy: 0.534
local terms energy: -74.462770
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -9.960
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: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -243.378372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.378372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.378372 (E_RNA)
where:
Base-Base interactions energy: -169.429
where: short stacking energy: -69.798
Base-Backbone interact. energy: 0.764
local terms energy: -74.712876
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -14.972
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: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -225.549942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.549942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.549942 (E_RNA)
where:
Base-Base interactions energy: -152.120
where: short stacking energy: -70.815
Base-Backbone interact. energy: -1.328
local terms energy: -72.101877
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -223.860919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.860919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.860919 (E_RNA)
where:
Base-Base interactions energy: -157.903
where: short stacking energy: -67.453
Base-Backbone interact. energy: 2.070
local terms energy: -68.027340
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -189.650566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.650566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.650566 (E_RNA)
where:
Base-Base interactions energy: -121.800
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.452
local terms energy: -67.398790
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -130.592838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.592838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.592838 (E_RNA)
where:
Base-Base interactions energy: -68.573
where: short stacking energy: -24.327
Base-Backbone interact. energy: -0.622
local terms energy: -61.397415
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -92.976399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.976399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.976399 (E_RNA)
where:
Base-Base interactions energy: -30.331
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.085
local terms energy: -62.559923
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -94.426275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.426275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.426275 (E_RNA)
where:
Base-Base interactions energy: -36.880
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.085
local terms energy: -57.461905
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -95.368793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.368793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.368793 (E_RNA)
where:
Base-Base interactions energy: -43.828
where: short stacking energy: -41.300
Base-Backbone interact. energy: -0.209
local terms energy: -51.331835
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -2.728
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -82.021526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.021526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.021526 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -32.414
Base-Backbone interact. energy: -0.206
local terms energy: -48.185962
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -245.830644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.830644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.830644 (E_RNA)
where:
Base-Base interactions energy: -167.362
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.111
local terms energy: -78.356881
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -243.822256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.822256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.822256 (E_RNA)
where:
Base-Base interactions energy: -169.401
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.136
local terms energy: -74.284871
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -244.151648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.151648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.151648 (E_RNA)
where:
Base-Base interactions energy: -171.074
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.952
local terms energy: -72.125590
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -232.125028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.125028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.125028 (E_RNA)
where:
Base-Base interactions energy: -155.466
where: short stacking energy: -70.709
Base-Backbone interact. energy: -0.176
local terms energy: -76.482376
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -180.320059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.320059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.320059 (E_RNA)
where:
Base-Base interactions energy: -108.363
where: short stacking energy: -60.077
Base-Backbone interact. energy: 0.512
local terms energy: -72.469366
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -108.765303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.765303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.765303 (E_RNA)
where:
Base-Base interactions energy: -57.287
where: short stacking energy: -42.872
Base-Backbone interact. energy: 1.594
local terms energy: -53.072112
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -107.247657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.247657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.247657 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -38.535
Base-Backbone interact. energy: -1.483
local terms energy: -67.229717
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -96.494960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.494960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.494960 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -25.500
Base-Backbone interact. energy: -0.041
local terms energy: -52.156408
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -4.606
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: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -90.803972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.803972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.803972 (E_RNA)
where:
Base-Base interactions energy: -45.486
where: short stacking energy: -33.198
Base-Backbone interact. energy: 0.541
local terms energy: -45.858732
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -86.095562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.095562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.095562 (E_RNA)
where:
Base-Base interactions energy: -32.872
where: short stacking energy: -32.850
Base-Backbone interact. energy: 0.682
local terms energy: -53.904985
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.777
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: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -244.075581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.075581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.075581 (E_RNA)
where:
Base-Base interactions energy: -162.227
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.148
local terms energy: -81.700805
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -243.548027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.548027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.548027 (E_RNA)
where:
Base-Base interactions energy: -168.599
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.379
local terms energy: -74.570040
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -252.767960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.767960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.767960 (E_RNA)
where:
Base-Base interactions energy: -175.908
where: short stacking energy: -71.278
Base-Backbone interact. energy: 0.085
local terms energy: -76.944876
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -223.094349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.094349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.094349 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.143
local terms energy: -71.951016
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -12.549
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: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -191.368964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.368964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.368964 (E_RNA)
where:
Base-Base interactions energy: -128.282
where: short stacking energy: -50.354
Base-Backbone interact. energy: -0.108
local terms energy: -62.979590
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -102.970268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.970268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.970268 (E_RNA)
where:
Base-Base interactions energy: -38.229
where: short stacking energy: -36.799
Base-Backbone interact. energy: -0.180
local terms energy: -64.561601
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -102.654323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.654323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.654323 (E_RNA)
where:
Base-Base interactions energy: -45.884
where: short stacking energy: -45.462
Base-Backbone interact. energy: -1.374
local terms energy: -55.396321
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -90.422460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.422460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.422460 (E_RNA)
where:
Base-Base interactions energy: -41.017
where: short stacking energy: -35.775
Base-Backbone interact. energy: 0.395
local terms energy: -49.800360
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -84.638761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.638761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.638761 (E_RNA)
where:
Base-Base interactions energy: -26.914
where: short stacking energy: -22.975
Base-Backbone interact. energy: 0.169
local terms energy: -57.893749
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -79.883678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.883678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.883678 (E_RNA)
where:
Base-Base interactions energy: -31.369
where: short stacking energy: -26.504
Base-Backbone interact. energy: -0.158
local terms energy: -48.356207
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -264.841397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.841397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.841397 (E_RNA)
where:
Base-Base interactions energy: -193.949
where: short stacking energy: -67.886
Base-Backbone interact. energy: -0.546
local terms energy: -70.345981
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -242.134839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.134839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.134839 (E_RNA)
where:
Base-Base interactions energy: -164.000
where: short stacking energy: -71.399
Base-Backbone interact. energy: -0.623
local terms energy: -77.511505
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -16.209
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: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -244.766619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.766619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.766619 (E_RNA)
where:
Base-Base interactions energy: -166.032
where: short stacking energy: -70.520
Base-Backbone interact. energy: 3.517
local terms energy: -82.251698
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -232.196602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.196602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.196602 (E_RNA)
where:
Base-Base interactions energy: -154.388
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.374
local terms energy: -77.434989
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -17.680
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: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -169.938166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.938166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.938166 (E_RNA)
where:
Base-Base interactions energy: -105.137
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.009
local terms energy: -64.792196
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -98.776243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.776243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.776243 (E_RNA)
where:
Base-Base interactions energy: -40.215
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.083
local terms energy: -58.478615
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -93.394187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.394187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.394187 (E_RNA)
where:
Base-Base interactions energy: -38.677
where: short stacking energy: -20.812
Base-Backbone interact. energy: -0.094
local terms energy: -54.623398
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -104.641742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.641742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.641742 (E_RNA)
where:
Base-Base interactions energy: -47.861
where: short stacking energy: -34.982
Base-Backbone interact. energy: -0.174
local terms energy: -56.606058
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -96.171982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.171982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.171982 (E_RNA)
where:
Base-Base interactions energy: -36.753
where: short stacking energy: -29.234
Base-Backbone interact. energy: 1.250
local terms energy: -60.668955
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -76.204598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.204598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.204598 (E_RNA)
where:
Base-Base interactions energy: -29.927
where: short stacking energy: -29.352
Base-Backbone interact. energy: 0.405
local terms energy: -46.682572
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -5.721
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: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -263.684296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.684296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.684296 (E_RNA)
where:
Base-Base interactions energy: -194.107
where: short stacking energy: -59.544
Base-Backbone interact. energy: -1.476
local terms energy: -68.100821
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -235.874042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.874042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.874042 (E_RNA)
where:
Base-Base interactions energy: -156.299
where: short stacking energy: -58.666
Base-Backbone interact. energy: -0.555
local terms energy: -79.020224
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.338
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: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -240.650699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.650699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.650699 (E_RNA)
where:
Base-Base interactions energy: -166.228
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.947
local terms energy: -73.475473
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -225.635579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.635579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.635579 (E_RNA)
where:
Base-Base interactions energy: -150.521
where: short stacking energy: -70.865
Base-Backbone interact. energy: -0.746
local terms energy: -74.368023
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -16.976
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -167.730490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.730490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.730490 (E_RNA)
where:
Base-Base interactions energy: -103.356
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.119
local terms energy: -64.255387
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -115.585515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.585515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.585515 (E_RNA)
where:
Base-Base interactions energy: -47.260
where: short stacking energy: -40.351
Base-Backbone interact. energy: -0.111
local terms energy: -68.214379
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -98.551624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.551624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.551624 (E_RNA)
where:
Base-Base interactions energy: -35.871
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.039
local terms energy: -62.640852
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -104.348462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.348462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.348462 (E_RNA)
where:
Base-Base interactions energy: -53.939
where: short stacking energy: -25.999
Base-Backbone interact. energy: -0.780
local terms energy: -49.629727
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: 5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -87.062283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.062283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.062283 (E_RNA)
where:
Base-Base interactions energy: -36.781
where: short stacking energy: -25.594
Base-Backbone interact. energy: -0.536
local terms energy: -49.745643
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -83.367479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367479 (E_RNA)
where:
Base-Base interactions energy: -25.359
where: short stacking energy: -16.280
Base-Backbone interact. energy: -1.485
local terms energy: -56.523018
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -261.942852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.942852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.942852 (E_RNA)
where:
Base-Base interactions energy: -191.261
where: short stacking energy: -61.392
Base-Backbone interact. energy: -1.560
local terms energy: -69.121435
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -12.990
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: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -241.118467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.118467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.118467 (E_RNA)
where:
Base-Base interactions energy: -156.972
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.147
local terms energy: -83.999875
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -231.533226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.533226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.533226 (E_RNA)
where:
Base-Base interactions energy: -153.550
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.227
local terms energy: -77.755706
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -239.199892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.199892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.199892 (E_RNA)
where:
Base-Base interactions energy: -181.646
where: short stacking energy: -61.375
Base-Backbone interact. energy: 0.514
local terms energy: -58.067393
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: 0.189
tors. eta vs tors. theta energy: -12.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -188.918761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.918761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.918761 (E_RNA)
where:
Base-Base interactions energy: -125.618
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.031
local terms energy: -63.270034
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -101.529112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.529112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.529112 (E_RNA)
where:
Base-Base interactions energy: -49.992
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.228
local terms energy: -51.309075
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -96.582249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.582249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.582249 (E_RNA)
where:
Base-Base interactions energy: -40.628
where: short stacking energy: -40.141
Base-Backbone interact. energy: -0.149
local terms energy: -55.804440
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -92.660751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.660751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.660751 (E_RNA)
where:
Base-Base interactions energy: -34.177
where: short stacking energy: -34.177
Base-Backbone interact. energy: -0.124
local terms energy: -58.360346
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -83.257792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.257792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.257792 (E_RNA)
where:
Base-Base interactions energy: -35.964
where: short stacking energy: -33.693
Base-Backbone interact. energy: -0.028
local terms energy: -47.265732
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -8.357
flat angles P-C4'-P energy: -2.404
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -82.482844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.482844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.482844 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.214
local terms energy: -50.272685
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -259.884136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.884136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.884136 (E_RNA)
where:
Base-Base interactions energy: -188.781
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.449
local terms energy: -70.654398
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -234.665970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.665970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.665970 (E_RNA)
where:
Base-Base interactions energy: -160.923
where: short stacking energy: -73.060
Base-Backbone interact. energy: 1.660
local terms energy: -75.402597
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -246.658449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.658449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.658449 (E_RNA)
where:
Base-Base interactions energy: -172.031
where: short stacking energy: -60.589
Base-Backbone interact. energy: -0.155
local terms energy: -74.471991
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -16.339
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: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -236.308072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.308072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.308072 (E_RNA)
where:
Base-Base interactions energy: -157.698
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.262
local terms energy: -78.348645
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -157.037664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.037664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.037664 (E_RNA)
where:
Base-Base interactions energy: -100.598
where: short stacking energy: -47.425
Base-Backbone interact. energy: 1.872
local terms energy: -58.311647
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -93.074084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.074084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.074084 (E_RNA)
where:
Base-Base interactions energy: -34.218
where: short stacking energy: -31.196
Base-Backbone interact. energy: -0.487
local terms energy: -58.368895
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -2.366
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: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -93.323704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.323704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.323704 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -36.576
Base-Backbone interact. energy: -0.082
local terms energy: -53.476902
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -0.945
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: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -90.513945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.513945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.513945 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -25.443
Base-Backbone interact. energy: -0.243
local terms energy: -59.143032
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -89.207744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.207744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.207744 (E_RNA)
where:
Base-Base interactions energy: -30.183
where: short stacking energy: -20.566
Base-Backbone interact. energy: -0.217
local terms energy: -58.807784
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -81.095148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.095148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.095148 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -21.628
Base-Backbone interact. energy: -0.928
local terms energy: -45.295186
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -3.468
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: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -236.056407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.056407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.056407 (E_RNA)
where:
Base-Base interactions energy: -149.300
where: short stacking energy: -70.478
Base-Backbone interact. energy: -0.413
local terms energy: -86.343499
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -259.254525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.254525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.254525 (E_RNA)
where:
Base-Base interactions energy: -187.331
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.198
local terms energy: -71.725176
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.196
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: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -226.804091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.804091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.804091 (E_RNA)
where:
Base-Base interactions energy: -149.955
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.378
local terms energy: -76.470672
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -242.407727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.407727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.407727 (E_RNA)
where:
Base-Base interactions energy: -166.937
where: short stacking energy: -75.649
Base-Backbone interact. energy: -0.194
local terms energy: -75.277202
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -158.796399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.796399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.796399 (E_RNA)
where:
Base-Base interactions energy: -87.256
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.200
local terms energy: -71.339639
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -103.174810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.174810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.174810 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -40.343
Base-Backbone interact. energy: -0.279
local terms energy: -58.911110
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -108.930674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.930674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.930674 (E_RNA)
where:
Base-Base interactions energy: -55.931
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.039
local terms energy: -52.959910
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -8.595
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: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -133.257051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.257051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.257051 (E_RNA)
where:
Base-Base interactions energy: -73.014
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.181
local terms energy: -60.061752
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -84.166362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166362 (E_RNA)
where:
Base-Base interactions energy: -27.755
where: short stacking energy: -24.986
Base-Backbone interact. energy: -0.252
local terms energy: -56.159542
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -6.378
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: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -84.449549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.449549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.449549 (E_RNA)
where:
Base-Base interactions energy: -30.070
where: short stacking energy: -28.808
Base-Backbone interact. energy: 0.279
local terms energy: -54.658933
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -249.002206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.002206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.002206 (E_RNA)
where:
Base-Base interactions energy: -166.915
where: short stacking energy: -74.218
Base-Backbone interact. energy: -0.598
local terms energy: -81.488509
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -10.315
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: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -260.033639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.033639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.033639 (E_RNA)
where:
Base-Base interactions energy: -180.311
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.306
local terms energy: -79.417108
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -15.208
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: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -233.496897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.496897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.496897 (E_RNA)
where:
Base-Base interactions energy: -156.584
where: short stacking energy: -69.976
Base-Backbone interact. energy: -0.763
local terms energy: -76.149201
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -14.953
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: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -243.764804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.764804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.764804 (E_RNA)
where:
Base-Base interactions energy: -168.851
where: short stacking energy: -73.708
Base-Backbone interact. energy: -0.285
local terms energy: -74.628066
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -170.990726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.990726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.990726 (E_RNA)
where:
Base-Base interactions energy: -101.681
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.255
local terms energy: -69.054720
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -124.680571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.680571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.680571 (E_RNA)
where:
Base-Base interactions energy: -52.483
where: short stacking energy: -46.712
Base-Backbone interact. energy: -0.039
local terms energy: -72.157923
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -98.008081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.008081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.008081 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -35.195
Base-Backbone interact. energy: -1.533
local terms energy: -57.587447
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -10.605
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: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -153.065001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.065001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.065001 (E_RNA)
where:
Base-Base interactions energy: -87.333
where: short stacking energy: -48.001
Base-Backbone interact. energy: -0.111
local terms energy: -65.621460
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -82.414102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.414102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.414102 (E_RNA)
where:
Base-Base interactions energy: -29.694
where: short stacking energy: -28.135
Base-Backbone interact. energy: 0.467
local terms energy: -53.187332
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -78.610574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.610574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.610574 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -28.082
Base-Backbone interact. energy: -0.550
local terms energy: -42.494181
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: 0.659
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: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -265.064035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.064035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.064035 (E_RNA)
where:
Base-Base interactions energy: -190.677
where: short stacking energy: -64.345
Base-Backbone interact. energy: 0.642
local terms energy: -75.028797
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -239.420429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.420429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.420429 (E_RNA)
where:
Base-Base interactions energy: -171.851
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.296
local terms energy: -67.272883
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -10.928
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: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -242.292349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.292349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.292349 (E_RNA)
where:
Base-Base interactions energy: -158.868
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.158
local terms energy: -83.266131
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -237.401734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.401734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.401734 (E_RNA)
where:
Base-Base interactions energy: -163.224
where: short stacking energy: -58.953
Base-Backbone interact. energy: -0.465
local terms energy: -73.712228
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -192.124523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.124523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.124523 (E_RNA)
where:
Base-Base interactions energy: -121.206
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.002
local terms energy: -70.916229
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -166.797382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.797382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.797382 (E_RNA)
where:
Base-Base interactions energy: -101.131
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.012
local terms energy: -65.654140
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -12.459
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: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -121.543555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.543555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.543555 (E_RNA)
where:
Base-Base interactions energy: -68.109
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.042
local terms energy: -53.392434
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -8.731
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -95.821642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.821642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.821642 (E_RNA)
where:
Base-Base interactions energy: -45.798
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.786
local terms energy: -49.237901
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -4.396
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: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -84.081362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.081362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.081362 (E_RNA)
where:
Base-Base interactions energy: -27.029
where: short stacking energy: -27.029
Base-Backbone interact. energy: 1.011
local terms energy: -58.063145
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -93.281230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.281230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.281230 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.181
local terms energy: -57.416653
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -264.638874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.638874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.638874 (E_RNA)
where:
Base-Base interactions energy: -182.231
where: short stacking energy: -69.585
Base-Backbone interact. energy: 0.232
local terms energy: -82.639765
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -245.743895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.743895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.743895 (E_RNA)
where:
Base-Base interactions energy: -168.501
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.102
local terms energy: -77.140851
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -231.127677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.127677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.127677 (E_RNA)
where:
Base-Base interactions energy: -156.146
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.151
local terms energy: -74.830585
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -229.426107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.426107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.426107 (E_RNA)
where:
Base-Base interactions energy: -158.633
where: short stacking energy: -76.244
Base-Backbone interact. energy: -0.301
local terms energy: -70.491836
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -180.354466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.354466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.354466 (E_RNA)
where:
Base-Base interactions energy: -100.290
where: short stacking energy: -57.410
Base-Backbone interact. energy: -1.027
local terms energy: -79.037267
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -182.388297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.388297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.388297 (E_RNA)
where:
Base-Base interactions energy: -108.795
where: short stacking energy: -61.832
Base-Backbone interact. energy: -0.872
local terms energy: -72.721360
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -90.574838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.574838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.574838 (E_RNA)
where:
Base-Base interactions energy: -32.324
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.059
local terms energy: -58.191673
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: 1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -109.034773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.034773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.034773 (E_RNA)
where:
Base-Base interactions energy: -50.334
where: short stacking energy: -43.630
Base-Backbone interact. energy: -0.152
local terms energy: -58.548712
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -8.359
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: 233
Temperature: 1.300000
Total energy: -88.192757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.192757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.192757 (E_RNA)
where:
Base-Base interactions energy: -24.759
where: short stacking energy: -20.899
Base-Backbone interact. energy: -0.077
local terms energy: -63.356460
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -93.138538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.138538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.138538 (E_RNA)
where:
Base-Base interactions energy: -49.920
where: short stacking energy: -33.359
Base-Backbone interact. energy: -0.253
local terms energy: -42.965990
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -262.497948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.497948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.497948 (E_RNA)
where:
Base-Base interactions energy: -183.923
where: short stacking energy: -65.124
Base-Backbone interact. energy: -0.135
local terms energy: -78.440176
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -15.385
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: 234
Temperature: 0.950000
Total energy: -238.849616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.849616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.849616 (E_RNA)
where:
Base-Base interactions energy: -168.039
where: short stacking energy: -72.100
Base-Backbone interact. energy: -0.728
local terms energy: -70.082740
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -238.668050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.668050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.668050 (E_RNA)
where:
Base-Base interactions energy: -162.927
where: short stacking energy: -73.154
Base-Backbone interact. energy: -0.364
local terms energy: -75.376540
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -234.660336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.660336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.660336 (E_RNA)
where:
Base-Base interactions energy: -162.282
where: short stacking energy: -72.235
Base-Backbone interact. energy: 1.530
local terms energy: -73.908346
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -175.806312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.806312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.806312 (E_RNA)
where:
Base-Base interactions energy: -110.886
where: short stacking energy: -54.458
Base-Backbone interact. energy: -0.161
local terms energy: -64.760076
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -11.696
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: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -172.041989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.041989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.041989 (E_RNA)
where:
Base-Base interactions energy: -101.607
where: short stacking energy: -52.132
Base-Backbone interact. energy: -0.393
local terms energy: -70.041626
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -110.194277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.194277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.194277 (E_RNA)
where:
Base-Base interactions energy: -51.593
where: short stacking energy: -51.593
Base-Backbone interact. energy: -1.001
local terms energy: -57.601080
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -85.643368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.643368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.643368 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -24.180
Base-Backbone interact. energy: -0.385
local terms energy: -54.436220
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -80.485300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.485300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.485300 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.152
local terms energy: -45.501264
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -85.613914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.613914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.613914 (E_RNA)
where:
Base-Base interactions energy: -34.551
where: short stacking energy: -30.117
Base-Backbone interact. energy: 1.370
local terms energy: -52.433401
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -255.567291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.567291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.567291 (E_RNA)
where:
Base-Base interactions energy: -178.323
where: short stacking energy: -65.010
Base-Backbone interact. energy: -0.469
local terms energy: -76.774613
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -235.857642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.857642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.857642 (E_RNA)
where:
Base-Base interactions energy: -154.632
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.262
local terms energy: -80.963957
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -251.352541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.352541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.352541 (E_RNA)
where:
Base-Base interactions energy: -168.839
where: short stacking energy: -69.191
Base-Backbone interact. energy: 0.848
local terms energy: -83.361574
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -222.642050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.642050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.642050 (E_RNA)
where:
Base-Base interactions energy: -148.018
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.172
local terms energy: -74.451779
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -184.427067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.427067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.427067 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -63.797
Base-Backbone interact. energy: -0.030
local terms energy: -69.338706
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -173.918576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.918576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.918576 (E_RNA)
where:
Base-Base interactions energy: -107.974
where: short stacking energy: -56.926
Base-Backbone interact. energy: 0.127
local terms energy: -66.071306
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -95.784732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.784732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.784732 (E_RNA)
where:
Base-Base interactions energy: -44.915
where: short stacking energy: -28.424
Base-Backbone interact. energy: -0.383
local terms energy: -50.487045
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -3.957
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: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -103.630097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.630097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.630097 (E_RNA)
where:
Base-Base interactions energy: -48.015
where: short stacking energy: -45.489
Base-Backbone interact. energy: -0.344
local terms energy: -55.271212
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.439
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: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -83.752710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.752710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.752710 (E_RNA)
where:
Base-Base interactions energy: -36.420
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.180
local terms energy: -47.152558
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: 1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -81.823102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.823102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.823102 (E_RNA)
where:
Base-Base interactions energy: -29.528
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.288
local terms energy: -52.007037
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -242.865843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.865843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.865843 (E_RNA)
where:
Base-Base interactions energy: -164.543
where: short stacking energy: -65.832
Base-Backbone interact. energy: -0.472
local terms energy: -77.849927
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -238.338518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.338518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.338518 (E_RNA)
where:
Base-Base interactions energy: -157.282
where: short stacking energy: -64.122
Base-Backbone interact. energy: -0.120
local terms energy: -80.936132
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -250.149337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.149337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.149337 (E_RNA)
where:
Base-Base interactions energy: -172.314
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.409
local terms energy: -77.426882
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -221.739952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.739952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.739952 (E_RNA)
where:
Base-Base interactions energy: -146.350
where: short stacking energy: -68.306
Base-Backbone interact. energy: -0.024
local terms energy: -75.365646
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -148.300115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.300115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.300115 (E_RNA)
where:
Base-Base interactions energy: -89.844
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.632
local terms energy: -57.824057
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -10.701
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: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -183.221126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.221126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.221126 (E_RNA)
where:
Base-Base interactions energy: -111.773
where: short stacking energy: -47.901
Base-Backbone interact. energy: -0.387
local terms energy: -71.061246
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -97.212472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.212472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.212472 (E_RNA)
where:
Base-Base interactions energy: -42.638
where: short stacking energy: -27.509
Base-Backbone interact. energy: -0.086
local terms energy: -54.488246
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: 1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -95.046219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.046219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.046219 (E_RNA)
where:
Base-Base interactions energy: -37.833
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.372
local terms energy: -56.841868
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -2.947
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: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -78.895768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.895768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.895768 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -25.513
Base-Backbone interact. energy: -0.275
local terms energy: -48.839625
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -78.689044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.689044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.689044 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.615
local terms energy: -49.073960
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -245.574262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.574262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.574262 (E_RNA)
where:
Base-Base interactions energy: -166.003
where: short stacking energy: -69.048
Base-Backbone interact. energy: 1.269
local terms energy: -80.840155
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -258.318745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.318745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.318745 (E_RNA)
where:
Base-Base interactions energy: -175.615
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.036
local terms energy: -82.667839
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -20.085
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: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -234.513403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.513403 (E_RNA)
where:
Base-Base interactions energy: -162.684
where: short stacking energy: -66.494
Base-Backbone interact. energy: 2.299
local terms energy: -74.128619
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -12.214
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: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -236.509783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.509783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.509783 (E_RNA)
where:
Base-Base interactions energy: -161.118
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.322
local terms energy: -75.069584
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -139.037198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.037198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.037198 (E_RNA)
where:
Base-Base interactions energy: -67.981
where: short stacking energy: -42.921
Base-Backbone interact. energy: -0.051
local terms energy: -71.005797
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -171.258582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.258582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.258582 (E_RNA)
where:
Base-Base interactions energy: -111.672
where: short stacking energy: -46.800
Base-Backbone interact. energy: -0.437
local terms energy: -59.149310
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -92.998045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.998045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.998045 (E_RNA)
where:
Base-Base interactions energy: -40.320
where: short stacking energy: -27.729
Base-Backbone interact. energy: -0.094
local terms energy: -52.584463
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -99.331672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.331672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.331672 (E_RNA)
where:
Base-Base interactions energy: -34.093
where: short stacking energy: -31.219
Base-Backbone interact. energy: -0.008
local terms energy: -65.230207
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -7.775
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: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -86.113725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.113725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.113725 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -34.659
Base-Backbone interact. energy: -0.441
local terms energy: -48.500924
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -79.844798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.844798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.844798 (E_RNA)
where:
Base-Base interactions energy: -25.109
where: short stacking energy: -24.612
Base-Backbone interact. energy: -0.350
local terms energy: -54.386410
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -5.185
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: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -257.099426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.099426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.099426 (E_RNA)
where:
Base-Base interactions energy: -182.116
where: short stacking energy: -80.136
Base-Backbone interact. energy: -0.312
local terms energy: -74.670948
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -257.901032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.901032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.901032 (E_RNA)
where:
Base-Base interactions energy: -185.487
where: short stacking energy: -73.409
Base-Backbone interact. energy: 1.742
local terms energy: -74.155930
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -252.670370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.670370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.670370 (E_RNA)
where:
Base-Base interactions energy: -184.526
where: short stacking energy: -64.856
Base-Backbone interact. energy: 0.069
local terms energy: -68.213242
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -228.501766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.501766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.501766 (E_RNA)
where:
Base-Base interactions energy: -161.763
where: short stacking energy: -66.675
Base-Backbone interact. energy: 0.226
local terms energy: -66.965244
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -198.763201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.763201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.763201 (E_RNA)
where:
Base-Base interactions energy: -130.467
where: short stacking energy: -50.345
Base-Backbone interact. energy: -0.737
local terms energy: -67.558411
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -7.528
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: 238
Temperature: 1.150000
Total energy: -135.276003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.276003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.276003 (E_RNA)
where:
Base-Base interactions energy: -71.674
where: short stacking energy: -33.362
Base-Backbone interact. energy: -0.245
local terms energy: -63.356985
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -9.362
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: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -100.502871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.502871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.502871 (E_RNA)
where:
Base-Base interactions energy: -34.192
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.179
local terms energy: -66.132696
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -90.690581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690581 (E_RNA)
where:
Base-Base interactions energy: -32.216
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.098
local terms energy: -58.376239
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -85.529453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.529453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.529453 (E_RNA)
where:
Base-Base interactions energy: -32.926
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.254
local terms energy: -52.349527
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -94.438940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438940 (E_RNA)
where:
Base-Base interactions energy: -40.414
where: short stacking energy: -40.414
Base-Backbone interact. energy: -1.050
local terms energy: -52.974667
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -254.177303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.177303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.177303 (E_RNA)
where:
Base-Base interactions energy: -170.985
where: short stacking energy: -66.026
Base-Backbone interact. energy: -0.147
local terms energy: -83.045002
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -13.320
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: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -254.748735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.748735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.748735 (E_RNA)
where:
Base-Base interactions energy: -181.869
where: short stacking energy: -63.164
Base-Backbone interact. energy: -0.416
local terms energy: -72.463596
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -247.667893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.667893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.667893 (E_RNA)
where:
Base-Base interactions energy: -176.880
where: short stacking energy: -69.700
Base-Backbone interact. energy: 0.626
local terms energy: -71.413152
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.118
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: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -222.522444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.522444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.522444 (E_RNA)
where:
Base-Base interactions energy: -152.361
where: short stacking energy: -73.004
Base-Backbone interact. energy: -0.158
local terms energy: -70.003428
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -196.950096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.950096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.950096 (E_RNA)
where:
Base-Base interactions energy: -126.888
where: short stacking energy: -56.483
Base-Backbone interact. energy: -1.160
local terms energy: -68.902736
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -11.987
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: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -135.818634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.818634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.818634 (E_RNA)
where:
Base-Base interactions energy: -72.011
where: short stacking energy: -51.819
Base-Backbone interact. energy: -0.003
local terms energy: -63.803996
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -8.394
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -98.392189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.392189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.392189 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.413
local terms energy: -52.397118
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -90.882403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.882403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.882403 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.144
local terms energy: -55.957858
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -93.278998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278998 (E_RNA)
where:
Base-Base interactions energy: -55.096
where: short stacking energy: -20.207
Base-Backbone interact. energy: -0.341
local terms energy: -37.842569
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -3.153
flat angles P-C4'-P energy: -6.166
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.599421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.599421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.599421 (E_RNA)
where:
Base-Base interactions energy: -25.320
where: short stacking energy: -21.711
Base-Backbone interact. energy: 1.010
local terms energy: -52.289510
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -252.442459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.442459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.442459 (E_RNA)
where:
Base-Base interactions energy: -167.905
where: short stacking energy: -67.338
Base-Backbone interact. energy: -0.058
local terms energy: -84.478861
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -20.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -250.005972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.005972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.005972 (E_RNA)
where:
Base-Base interactions energy: -164.241
where: short stacking energy: -76.634
Base-Backbone interact. energy: -2.481
local terms energy: -83.283973
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -21.624
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: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -225.326066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.326066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.326066 (E_RNA)
where:
Base-Base interactions energy: -156.449
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.371
local terms energy: -68.506314
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -2.323
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -222.272414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.272414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.272414 (E_RNA)
where:
Base-Base interactions energy: -160.081
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.403
local terms energy: -61.787861
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -215.192908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.192908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.192908 (E_RNA)
where:
Base-Base interactions energy: -140.609
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.686
local terms energy: -73.898021
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -12.355
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: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -105.381061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.381061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.381061 (E_RNA)
where:
Base-Base interactions energy: -51.249
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.166
local terms energy: -53.965784
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -95.608610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.608610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.608610 (E_RNA)
where:
Base-Base interactions energy: -38.407
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.271
local terms energy: -56.930838
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -96.878111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.878111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.878111 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -26.927
Base-Backbone interact. energy: -0.872
local terms energy: -57.378213
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -94.034698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.034698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.034698 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -34.405
Base-Backbone interact. energy: -0.357
local terms energy: -59.204146
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -10.362
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: 240
Temperature: 1.350000
Total energy: -82.652074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.652074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.652074 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -32.666
Base-Backbone interact. energy: -0.166
local terms energy: -47.680388
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -2.961
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: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -253.632556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.632556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.632556 (E_RNA)
where:
Base-Base interactions energy: -173.813
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.150
local terms energy: -79.669637
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -11.769
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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -251.063389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.063389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.063389 (E_RNA)
where:
Base-Base interactions energy: -173.323
where: short stacking energy: -66.286
Base-Backbone interact. energy: 1.513
local terms energy: -79.252941
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -230.535986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.535986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.535986 (E_RNA)
where:
Base-Base interactions energy: -147.451
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.261
local terms energy: -82.824442
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -231.740824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.740824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.740824 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -67.239
Base-Backbone interact. energy: -0.167
local terms energy: -88.695988
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -213.727031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.727031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.727031 (E_RNA)
where:
Base-Base interactions energy: -143.865
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.663
local terms energy: -69.199352
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -96.552050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552050 (E_RNA)
where:
Base-Base interactions energy: -41.905
where: short stacking energy: -22.301
Base-Backbone interact. energy: -0.495
local terms energy: -54.151858
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -0.711
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: 241
Temperature: 1.200000
Total energy: -103.321944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.321944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.321944 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -41.547
Base-Backbone interact. energy: -0.100
local terms energy: -61.674837
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -99.981006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.981006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.981006 (E_RNA)
where:
Base-Base interactions energy: -38.406
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.353
local terms energy: -61.222058
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -92.540007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.540007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.540007 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -31.907
Base-Backbone interact. energy: -0.004
local terms energy: -60.629796
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -76.238017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.238017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.238017 (E_RNA)
where:
Base-Base interactions energy: -27.056
where: short stacking energy: -21.666
Base-Backbone interact. energy: -0.388
local terms energy: -48.793845
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: 4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -249.730828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.730828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.730828 (E_RNA)
where:
Base-Base interactions energy: -167.616
where: short stacking energy: -70.950
Base-Backbone interact. energy: -0.953
local terms energy: -81.162252
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -17.015
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: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -248.139103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.139103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.139103 (E_RNA)
where:
Base-Base interactions energy: -169.988
where: short stacking energy: -63.607
Base-Backbone interact. energy: 0.143
local terms energy: -78.294603
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -17.288
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: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -238.336136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.336136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.336136 (E_RNA)
where:
Base-Base interactions energy: -156.002
where: short stacking energy: -73.413
Base-Backbone interact. energy: -1.585
local terms energy: -80.748351
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -220.958242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.958242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.958242 (E_RNA)
where:
Base-Base interactions energy: -153.997
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.257
local terms energy: -66.704296
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -216.625748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.625748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.625748 (E_RNA)
where:
Base-Base interactions energy: -149.346
where: short stacking energy: -64.707
Base-Backbone interact. energy: 0.715
local terms energy: -67.994639
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -10.014
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: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -96.107316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.107316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.107316 (E_RNA)
where:
Base-Base interactions energy: -37.958
where: short stacking energy: -22.904
Base-Backbone interact. energy: -0.141
local terms energy: -58.008527
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -96.616597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.616597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.616597 (E_RNA)
where:
Base-Base interactions energy: -47.934
where: short stacking energy: -26.285
Base-Backbone interact. energy: 0.054
local terms energy: -48.737148
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -91.445429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.445429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.445429 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -23.958
Base-Backbone interact. energy: -0.412
local terms energy: -54.756129
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -122.906175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.906175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.906175 (E_RNA)
where:
Base-Base interactions energy: -62.160
where: short stacking energy: -37.419
Base-Backbone interact. energy: -0.024
local terms energy: -60.723095
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -4.554
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -86.463995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.463995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.463995 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -33.606
Base-Backbone interact. energy: -0.045
local terms energy: -52.125844
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -6.998
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -247.860895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.860895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.860895 (E_RNA)
where:
Base-Base interactions energy: -180.373
where: short stacking energy: -60.770
Base-Backbone interact. energy: -1.262
local terms energy: -66.226300
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -17.423
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -245.020095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.020095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.020095 (E_RNA)
where:
Base-Base interactions energy: -161.831
where: short stacking energy: -78.882
Base-Backbone interact. energy: 0.158
local terms energy: -83.347169
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -23.925
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: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -232.180274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.180274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.180274 (E_RNA)
where:
Base-Base interactions energy: -155.917
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.285
local terms energy: -75.977901
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -13.182
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: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -218.979912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.979912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.979912 (E_RNA)
where:
Base-Base interactions energy: -141.138
where: short stacking energy: -63.963
Base-Backbone interact. energy: 0.382
local terms energy: -78.224633
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -14.360
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: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -223.740185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.740185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.740185 (E_RNA)
where:
Base-Base interactions energy: -154.735
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.444
local terms energy: -68.561423
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.927
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: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -152.523513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.523513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.523513 (E_RNA)
where:
Base-Base interactions energy: -90.574
where: short stacking energy: -39.368
Base-Backbone interact. energy: 1.095
local terms energy: -63.044366
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -104.826764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.826764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.826764 (E_RNA)
where:
Base-Base interactions energy: -48.331
where: short stacking energy: -34.686
Base-Backbone interact. energy: 0.137
local terms energy: -56.632785
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -4.719
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -145.278397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.278397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.278397 (E_RNA)
where:
Base-Base interactions energy: -84.345
where: short stacking energy: -41.141
Base-Backbone interact. energy: -0.122
local terms energy: -60.811619
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -84.939047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939047 (E_RNA)
where:
Base-Base interactions energy: -34.842
where: short stacking energy: -34.842
Base-Backbone interact. energy: -0.068
local terms energy: -50.029187
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -4.743
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -92.557113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.557113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.557113 (E_RNA)
where:
Base-Base interactions energy: -41.491
where: short stacking energy: -39.824
Base-Backbone interact. energy: 1.212
local terms energy: -52.277643
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.480
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: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -237.165452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.165452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.165452 (E_RNA)
where:
Base-Base interactions energy: -161.668
where: short stacking energy: -76.977
Base-Backbone interact. energy: -0.218
local terms energy: -75.280012
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -240.739005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.739005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.739005 (E_RNA)
where:
Base-Base interactions energy: -166.851
where: short stacking energy: -61.419
Base-Backbone interact. energy: -1.241
local terms energy: -72.647222
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -226.408986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.408986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.408986 (E_RNA)
where:
Base-Base interactions energy: -147.543
where: short stacking energy: -70.839
Base-Backbone interact. energy: 0.442
local terms energy: -79.308700
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -231.045198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.045198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.045198 (E_RNA)
where:
Base-Base interactions energy: -147.933
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.248
local terms energy: -82.864170
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -18.368
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: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -225.270160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.270160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.270160 (E_RNA)
where:
Base-Base interactions energy: -155.056
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.116
local terms energy: -70.097355
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -10.233
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: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -110.537709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.537709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.537709 (E_RNA)
where:
Base-Base interactions energy: -52.893
where: short stacking energy: -37.814
Base-Backbone interact. energy: -1.334
local terms energy: -56.310759
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.627
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: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -164.073412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.073412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.073412 (E_RNA)
where:
Base-Base interactions energy: -96.252
where: short stacking energy: -55.547
Base-Backbone interact. energy: -0.127
local terms energy: -67.695158
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -96.078325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.078325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.078325 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -37.054
Base-Backbone interact. energy: -0.169
local terms energy: -58.855497
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -81.844212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.844212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.844212 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.220
local terms energy: -48.568759
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -86.850897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.850897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.850897 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -39.441
Base-Backbone interact. energy: -0.139
local terms energy: -45.398536
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -239.767835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.767835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.767835 (E_RNA)
where:
Base-Base interactions energy: -158.132
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.276
local terms energy: -81.359878
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -249.757100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.757100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.757100 (E_RNA)
where:
Base-Base interactions energy: -172.547
where: short stacking energy: -70.454
Base-Backbone interact. energy: -0.908
local terms energy: -76.301709
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -234.664664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.664664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.664664 (E_RNA)
where:
Base-Base interactions energy: -164.511
where: short stacking energy: -63.878
Base-Backbone interact. energy: -0.484
local terms energy: -69.669652
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -227.920703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.920703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.920703 (E_RNA)
where:
Base-Base interactions energy: -155.464
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.168
local terms energy: -72.288200
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -230.164370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.164370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.164370 (E_RNA)
where:
Base-Base interactions energy: -154.324
where: short stacking energy: -63.181
Base-Backbone interact. energy: -0.017
local terms energy: -75.823306
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -160.941505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.941505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.941505 (E_RNA)
where:
Base-Base interactions energy: -98.150
where: short stacking energy: -43.037
Base-Backbone interact. energy: -0.277
local terms energy: -62.514858
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -6.424
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: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -121.520859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.520859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.520859 (E_RNA)
where:
Base-Base interactions energy: -68.186
where: short stacking energy: -43.756
Base-Backbone interact. energy: -0.121
local terms energy: -53.213579
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -5.567
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: 245
Temperature: 1.250000
Total energy: -88.182759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.182759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.182759 (E_RNA)
where:
Base-Base interactions energy: -31.414
where: short stacking energy: -28.343
Base-Backbone interact. energy: -0.215
local terms energy: -56.553680
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -83.699855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.699855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.699855 (E_RNA)
where:
Base-Base interactions energy: -38.068
where: short stacking energy: -38.068
Base-Backbone interact. energy: -0.141
local terms energy: -45.490656
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -86.510326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510326 (E_RNA)
where:
Base-Base interactions energy: -32.772
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.191
local terms energy: -53.547361
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -263.650772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.650772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.650772 (E_RNA)
where:
Base-Base interactions energy: -187.351
where: short stacking energy: -64.901
Base-Backbone interact. energy: -1.587
local terms energy: -74.712604
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -16.902
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: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -242.503998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.503998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.503998 (E_RNA)
where:
Base-Base interactions energy: -165.774
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.540
local terms energy: -76.190426
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -232.529808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.529808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.529808 (E_RNA)
where:
Base-Base interactions energy: -160.294
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.160
local terms energy: -72.075746
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.030
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: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -237.003276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.003276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.003276 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -57.899
Base-Backbone interact. energy: -0.357
local terms energy: -67.416330
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -6.742
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: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -224.288836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.288836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.288836 (E_RNA)
where:
Base-Base interactions energy: -150.738
where: short stacking energy: -77.438
Base-Backbone interact. energy: -0.036
local terms energy: -73.514412
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -20.175
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: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -155.400526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.400526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.400526 (E_RNA)
where:
Base-Base interactions energy: -91.978
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.303
local terms energy: -63.119524
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -8.374
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -7.936
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: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -114.353240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.353240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.353240 (E_RNA)
where:
Base-Base interactions energy: -43.175
where: short stacking energy: -42.767
Base-Backbone interact. energy: -0.010
local terms energy: -71.168606
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -85.070538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070538 (E_RNA)
where:
Base-Base interactions energy: -33.401
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.185
local terms energy: -51.484711
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -93.326998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.326998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.326998 (E_RNA)
where:
Base-Base interactions energy: -32.908
where: short stacking energy: -33.152
Base-Backbone interact. energy: -0.087
local terms energy: -60.332052
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -85.121747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.121747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.121747 (E_RNA)
where:
Base-Base interactions energy: -25.971
where: short stacking energy: -25.971
Base-Backbone interact. energy: 0.033
local terms energy: -59.184372
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -252.309934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.309934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.309934 (E_RNA)
where:
Base-Base interactions energy: -176.281
where: short stacking energy: -67.470
Base-Backbone interact. energy: -1.601
local terms energy: -74.428086
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -242.635787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.635787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.635787 (E_RNA)
where:
Base-Base interactions energy: -163.067
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.883
local terms energy: -78.685337
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -226.991768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.991768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.991768 (E_RNA)
where:
Base-Base interactions energy: -152.078
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.103
local terms energy: -74.811456
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -230.937168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.937168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.937168 (E_RNA)
where:
Base-Base interactions energy: -158.239
where: short stacking energy: -73.638
Base-Backbone interact. energy: -0.117
local terms energy: -72.580247
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -233.874132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.874132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.874132 (E_RNA)
where:
Base-Base interactions energy: -166.055
where: short stacking energy: -61.762
Base-Backbone interact. energy: -0.670
local terms energy: -67.149089
where:
bonds (distance) C4'-P energy: -5.358
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -12.352
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: 247
Temperature: 1.150000
Total energy: -150.227712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.227712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.227712 (E_RNA)
where:
Base-Base interactions energy: -87.737
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.626
local terms energy: -61.864724
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -125.056600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.056600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.056600 (E_RNA)
where:
Base-Base interactions energy: -78.863
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.221
local terms energy: -45.972735
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -5.108
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: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -96.519741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.519741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.519741 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -38.190
Base-Backbone interact. energy: -0.241
local terms energy: -56.060928
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -103.442670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.442670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.442670 (E_RNA)
where:
Base-Base interactions energy: -46.428
where: short stacking energy: -38.401
Base-Backbone interact. energy: -0.158
local terms energy: -56.856319
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -73.829412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.829412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.829412 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -27.706
Base-Backbone interact. energy: -0.329
local terms energy: -43.984860
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -6.811
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: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -261.962390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.962390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.962390 (E_RNA)
where:
Base-Base interactions energy: -186.227
where: short stacking energy: -65.768
Base-Backbone interact. energy: 0.392
local terms energy: -76.127269
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -238.435958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.435958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.435958 (E_RNA)
where:
Base-Base interactions energy: -155.760
where: short stacking energy: -74.579
Base-Backbone interact. energy: -0.706
local terms energy: -81.970066
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -231.582188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.582188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.582188 (E_RNA)
where:
Base-Base interactions energy: -150.378
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.490
local terms energy: -80.714336
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -238.598253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.598253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.598253 (E_RNA)
where:
Base-Base interactions energy: -165.584
where: short stacking energy: -73.029
Base-Backbone interact. energy: -0.069
local terms energy: -72.945615
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -235.723603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.723603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.723603 (E_RNA)
where:
Base-Base interactions energy: -159.457
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.280
local terms energy: -75.986671
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -159.327412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.327412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.327412 (E_RNA)
where:
Base-Base interactions energy: -92.717
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.162
local terms energy: -66.448541
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -102.855542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.855542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.855542 (E_RNA)
where:
Base-Base interactions energy: -45.318
where: short stacking energy: -38.587
Base-Backbone interact. energy: 1.848
local terms energy: -59.386419
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -92.949704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.949704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.949704 (E_RNA)
where:
Base-Base interactions energy: -40.486
where: short stacking energy: -37.496
Base-Backbone interact. energy: 0.920
local terms energy: -53.383307
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -102.036218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.036218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.036218 (E_RNA)
where:
Base-Base interactions energy: -46.651
where: short stacking energy: -39.074
Base-Backbone interact. energy: -0.108
local terms energy: -55.277380
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -91.133490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.133490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.133490 (E_RNA)
where:
Base-Base interactions energy: -33.602
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.108
local terms energy: -57.423694
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -265.978491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.978491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.978491 (E_RNA)
where:
Base-Base interactions energy: -186.885
where: short stacking energy: -62.984
Base-Backbone interact. energy: -1.921
local terms energy: -77.172472
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -11.764
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: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -255.706421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.706421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.706421 (E_RNA)
where:
Base-Base interactions energy: -178.306
where: short stacking energy: -74.580
Base-Backbone interact. energy: -0.057
local terms energy: -77.343335
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.477
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: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -239.067730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.067730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.067730 (E_RNA)
where:
Base-Base interactions energy: -166.114
where: short stacking energy: -63.059
Base-Backbone interact. energy: 0.496
local terms energy: -73.449725
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -232.473732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.473732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.473732 (E_RNA)
where:
Base-Base interactions energy: -152.907
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.390
local terms energy: -79.176396
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -224.477744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477744 (E_RNA)
where:
Base-Base interactions energy: -155.354
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.133
local terms energy: -68.990490
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.340
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: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -181.526432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.526432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.526432 (E_RNA)
where:
Base-Base interactions energy: -115.710
where: short stacking energy: -47.607
Base-Backbone interact. energy: -0.517
local terms energy: -65.299448
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -98.107039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.107039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.107039 (E_RNA)
where:
Base-Base interactions energy: -44.277
where: short stacking energy: -36.603
Base-Backbone interact. energy: -1.137
local terms energy: -52.692437
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: 0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -91.033073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.033073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.033073 (E_RNA)
where:
Base-Base interactions energy: -33.190
where: short stacking energy: -32.433
Base-Backbone interact. energy: -0.002
local terms energy: -57.840838
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -8.015
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -90.974070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974070 (E_RNA)
where:
Base-Base interactions energy: -42.065
where: short stacking energy: -31.196
Base-Backbone interact. energy: 0.414
local terms energy: -49.323114
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -92.339895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.339895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.339895 (E_RNA)
where:
Base-Base interactions energy: -35.847
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.681
local terms energy: -55.811983
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -258.383916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.383916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.383916 (E_RNA)
where:
Base-Base interactions energy: -181.806
where: short stacking energy: -66.877
Base-Backbone interact. energy: -0.348
local terms energy: -76.229804
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -256.591656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.591656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.591656 (E_RNA)
where:
Base-Base interactions energy: -172.719
where: short stacking energy: -72.039
Base-Backbone interact. energy: 0.094
local terms energy: -83.967138
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -231.614194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.614194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.614194 (E_RNA)
where:
Base-Base interactions energy: -159.471
where: short stacking energy: -74.293
Base-Backbone interact. energy: -0.150
local terms energy: -71.992556
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -16.048
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: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -229.694324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.694324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.694324 (E_RNA)
where:
Base-Base interactions energy: -147.763
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.224
local terms energy: -81.707597
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -227.241642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.241642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.241642 (E_RNA)
where:
Base-Base interactions energy: -151.925
where: short stacking energy: -64.765
Base-Backbone interact. energy: -0.638
local terms energy: -74.678314
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -9.151
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: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -181.156032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.156032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.156032 (E_RNA)
where:
Base-Base interactions energy: -106.977
where: short stacking energy: -63.217
Base-Backbone interact. energy: -0.001
local terms energy: -74.177892
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -96.838914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.838914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.838914 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -43.018
Base-Backbone interact. energy: -0.120
local terms energy: -53.066456
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -7.473
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: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -88.639367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.639367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.639367 (E_RNA)
where:
Base-Base interactions energy: -32.503
where: short stacking energy: -32.503
Base-Backbone interact. energy: -0.181
local terms energy: -55.954898
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -86.624496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.624496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.624496 (E_RNA)
where:
Base-Base interactions energy: -25.523
where: short stacking energy: -24.434
Base-Backbone interact. energy: 0.311
local terms energy: -61.411969
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -3.803
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: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -94.075310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.075310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.075310 (E_RNA)
where:
Base-Base interactions energy: -30.146
where: short stacking energy: -28.478
Base-Backbone interact. energy: -0.329
local terms energy: -63.599760
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -7.249
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: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -263.841803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.841803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.841803 (E_RNA)
where:
Base-Base interactions energy: -190.707
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.646
local terms energy: -72.489154
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -249.540485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.540485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.540485 (E_RNA)
where:
Base-Base interactions energy: -169.324
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.439
local terms energy: -79.777930
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -249.819450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.819450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.819450 (E_RNA)
where:
Base-Base interactions energy: -178.945
where: short stacking energy: -61.292
Base-Backbone interact. energy: -1.188
local terms energy: -69.686577
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -16.307
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: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -233.081676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.081676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.081676 (E_RNA)
where:
Base-Base interactions energy: -156.030
where: short stacking energy: -71.799
Base-Backbone interact. energy: 0.335
local terms energy: -77.387307
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -16.281
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: 251
Temperature: 1.100000
Total energy: -216.252419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.252419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.252419 (E_RNA)
where:
Base-Base interactions energy: -139.557
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.286
local terms energy: -76.409768
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -13.405
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: 251
Temperature: 1.150000
Total energy: -176.769028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769028 (E_RNA)
where:
Base-Base interactions energy: -110.676
where: short stacking energy: -67.903
Base-Backbone interact. energy: -0.046
local terms energy: -66.046798
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -103.785837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.785837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.785837 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -33.985
Base-Backbone interact. energy: 0.755
local terms energy: -60.176489
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -126.961339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.961339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.961339 (E_RNA)
where:
Base-Base interactions energy: -74.235
where: short stacking energy: -42.746
Base-Backbone interact. energy: 0.152
local terms energy: -52.878392
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -106.879809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.879809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.879809 (E_RNA)
where:
Base-Base interactions energy: -46.802
where: short stacking energy: -33.576
Base-Backbone interact. energy: -0.431
local terms energy: -59.646685
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -7.518
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: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -94.236824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.236824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.236824 (E_RNA)
where:
Base-Base interactions energy: -54.337
where: short stacking energy: -16.829
Base-Backbone interact. energy: 0.988
local terms energy: -40.887682
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -5.204
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: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -265.453359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.453359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.453359 (E_RNA)
where:
Base-Base interactions energy: -190.544
where: short stacking energy: -59.696
Base-Backbone interact. energy: -1.385
local terms energy: -73.524002
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -13.742
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: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -251.592646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.592646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.592646 (E_RNA)
where:
Base-Base interactions energy: -168.013
where: short stacking energy: -67.448
Base-Backbone interact. energy: -0.258
local terms energy: -83.322269
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -8.548
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -241.972876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.972876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.972876 (E_RNA)
where:
Base-Base interactions energy: -170.376
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.086
local terms energy: -71.510369
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -16.434
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: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -250.458644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.458644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.458644 (E_RNA)
where:
Base-Base interactions energy: -179.360
where: short stacking energy: -61.823
Base-Backbone interact. energy: 1.520
local terms energy: -72.618607
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.119
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: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -225.873636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.873636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.873636 (E_RNA)
where:
Base-Base interactions energy: -152.769
where: short stacking energy: -61.713
Base-Backbone interact. energy: -0.031
local terms energy: -73.074128
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -167.095683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.095683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.095683 (E_RNA)
where:
Base-Base interactions energy: -96.722
where: short stacking energy: -44.035
Base-Backbone interact. energy: -0.225
local terms energy: -70.148172
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -95.093376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.093376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.093376 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -40.756
Base-Backbone interact. energy: 1.513
local terms energy: -53.451805
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -94.049622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.049622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.049622 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.237
local terms energy: -58.256996
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -11.937
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: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -88.252734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.252734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.252734 (E_RNA)
where:
Base-Base interactions energy: -30.033
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.177
local terms energy: -58.042305
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -84.472668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.472668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.472668 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.342
local terms energy: -48.810290
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: 2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -263.536494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.536494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.536494 (E_RNA)
where:
Base-Base interactions energy: -185.350
where: short stacking energy: -69.722
Base-Backbone interact. energy: -0.773
local terms energy: -77.413170
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -251.015014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.015014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.015014 (E_RNA)
where:
Base-Base interactions energy: -172.376
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.189
local terms energy: -78.450225
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.391
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: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -250.725779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.725779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.725779 (E_RNA)
where:
Base-Base interactions energy: -174.173
where: short stacking energy: -76.291
Base-Backbone interact. energy: -0.203
local terms energy: -76.350312
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -225.537990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.537990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.537990 (E_RNA)
where:
Base-Base interactions energy: -145.596
where: short stacking energy: -65.977
Base-Backbone interact. energy: -1.529
local terms energy: -78.413770
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -223.809527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.809527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.809527 (E_RNA)
where:
Base-Base interactions energy: -155.181
where: short stacking energy: -56.516
Base-Backbone interact. energy: 0.688
local terms energy: -69.316375
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.083
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: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -180.903049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.903049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.903049 (E_RNA)
where:
Base-Base interactions energy: -118.388
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.914
local terms energy: -61.601322
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -7.218
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -102.838648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.838648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.838648 (E_RNA)
where:
Base-Base interactions energy: -47.762
where: short stacking energy: -36.592
Base-Backbone interact. energy: 1.277
local terms energy: -56.353797
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -96.224821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.224821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.224821 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -40.966
Base-Backbone interact. energy: 1.638
local terms energy: -56.671662
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -85.044194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.044194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.044194 (E_RNA)
where:
Base-Base interactions energy: -27.378
where: short stacking energy: -26.798
Base-Backbone interact. energy: -0.069
local terms energy: -57.597848
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -83.369001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.369001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.369001 (E_RNA)
where:
Base-Base interactions energy: -23.063
where: short stacking energy: -23.029
Base-Backbone interact. energy: -0.744
local terms energy: -59.562505
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -6.146
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: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -259.129790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.129790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.129790 (E_RNA)
where:
Base-Base interactions energy: -189.017
where: short stacking energy: -60.754
Base-Backbone interact. energy: -1.225
local terms energy: -68.887093
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -246.719925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.719925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.719925 (E_RNA)
where:
Base-Base interactions energy: -161.032
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.119
local terms energy: -85.568876
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -233.203491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.203491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.203491 (E_RNA)
where:
Base-Base interactions energy: -153.408
where: short stacking energy: -60.899
Base-Backbone interact. energy: -2.051
local terms energy: -77.744582
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -15.465
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: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -247.493003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.493003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.493003 (E_RNA)
where:
Base-Base interactions energy: -174.922
where: short stacking energy: -65.213
Base-Backbone interact. energy: -0.047
local terms energy: -72.523523
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -8.914
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: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -227.425038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.425038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.425038 (E_RNA)
where:
Base-Base interactions energy: -149.762
where: short stacking energy: -68.070
Base-Backbone interact. energy: 0.216
local terms energy: -77.879073
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -19.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -145.356552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.356552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.356552 (E_RNA)
where:
Base-Base interactions energy: -80.883
where: short stacking energy: -33.503
Base-Backbone interact. energy: -0.036
local terms energy: -64.438013
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -102.752662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.752662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.752662 (E_RNA)
where:
Base-Base interactions energy: -49.098
where: short stacking energy: -44.840
Base-Backbone interact. energy: -0.308
local terms energy: -53.346748
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -8.229
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: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -87.231062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.231062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.231062 (E_RNA)
where:
Base-Base interactions energy: -29.385
where: short stacking energy: -26.196
Base-Backbone interact. energy: -0.170
local terms energy: -57.676193
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -5.491
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: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -94.612312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.612312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.612312 (E_RNA)
where:
Base-Base interactions energy: -35.851
where: short stacking energy: -35.851
Base-Backbone interact. energy: -0.047
local terms energy: -58.713844
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -80.935426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.935426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.935426 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -28.229
Base-Backbone interact. energy: 1.037
local terms energy: -47.933851
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -260.241058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.241058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.241058 (E_RNA)
where:
Base-Base interactions energy: -182.384
where: short stacking energy: -65.760
Base-Backbone interact. energy: -1.244
local terms energy: -76.612496
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -17.962
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: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -235.830124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.830124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.830124 (E_RNA)
where:
Base-Base interactions energy: -163.749
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.162
local terms energy: -71.918478
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -245.188176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.188176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.188176 (E_RNA)
where:
Base-Base interactions energy: -170.255
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.473
local terms energy: -74.460383
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -15.424
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -226.642163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.642163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.642163 (E_RNA)
where:
Base-Base interactions energy: -150.124
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.451
local terms energy: -76.066758
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -19.202
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: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -219.390843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.390843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.390843 (E_RNA)
where:
Base-Base interactions energy: -146.775
where: short stacking energy: -62.058
Base-Backbone interact. energy: -0.396
local terms energy: -72.220418
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -11.281
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: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -98.800744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.800744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.800744 (E_RNA)
where:
Base-Base interactions energy: -42.498
where: short stacking energy: -40.292
Base-Backbone interact. energy: -0.103
local terms energy: -56.199573
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -129.370045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.370045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.370045 (E_RNA)
where:
Base-Base interactions energy: -65.542
where: short stacking energy: -24.534
Base-Backbone interact. energy: -0.131
local terms energy: -63.696444
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -86.707308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.707308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.707308 (E_RNA)
where:
Base-Base interactions energy: -36.089
where: short stacking energy: -28.913
Base-Backbone interact. energy: -0.061
local terms energy: -50.556632
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -98.749451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.749451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.749451 (E_RNA)
where:
Base-Base interactions energy: -43.925
where: short stacking energy: -26.908
Base-Backbone interact. energy: 1.006
local terms energy: -55.830508
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.203
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: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -84.262552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.262552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.262552 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -31.314
Base-Backbone interact. energy: 0.660
local terms energy: -51.084227
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -3.771
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -242.063795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.063795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.063795 (E_RNA)
where:
Base-Base interactions energy: -168.710
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.479
local terms energy: -72.874454
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -241.511994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.511994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.511994 (E_RNA)
where:
Base-Base interactions energy: -176.660
where: short stacking energy: -61.528
Base-Backbone interact. energy: -1.540
local terms energy: -63.311691
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -11.283
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: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -234.427243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.427243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.427243 (E_RNA)
where:
Base-Base interactions energy: -157.149
where: short stacking energy: -66.447
Base-Backbone interact. energy: 0.509
local terms energy: -77.787725
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -233.157761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.157761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.157761 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.095
local terms energy: -79.445212
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -220.801694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.801694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.801694 (E_RNA)
where:
Base-Base interactions energy: -146.899
where: short stacking energy: -63.214
Base-Backbone interact. energy: -0.962
local terms energy: -72.939904
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -103.973071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.973071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.973071 (E_RNA)
where:
Base-Base interactions energy: -48.656
where: short stacking energy: -47.747
Base-Backbone interact. energy: -0.820
local terms energy: -54.497171
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -158.006275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.006275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.006275 (E_RNA)
where:
Base-Base interactions energy: -95.350
where: short stacking energy: -41.938
Base-Backbone interact. energy: 0.326
local terms energy: -62.982068
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -102.560106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.560106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.560106 (E_RNA)
where:
Base-Base interactions energy: -42.452
where: short stacking energy: -40.620
Base-Backbone interact. energy: 1.499
local terms energy: -61.606382
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -79.033567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.033567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.033567 (E_RNA)
where:
Base-Base interactions energy: -25.758
where: short stacking energy: -25.691
Base-Backbone interact. energy: -0.163
local terms energy: -53.112017
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -9.350
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: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -78.933391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.933391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.933391 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -22.597
Base-Backbone interact. energy: -0.435
local terms energy: -48.875524
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -239.198896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.198896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.198896 (E_RNA)
where:
Base-Base interactions energy: -164.622
where: short stacking energy: -71.665
Base-Backbone interact. energy: -0.523
local terms energy: -74.053494
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -240.467882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.467882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.467882 (E_RNA)
where:
Base-Base interactions energy: -160.018
where: short stacking energy: -76.714
Base-Backbone interact. energy: -2.217
local terms energy: -78.232920
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -239.788291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.788291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.788291 (E_RNA)
where:
Base-Base interactions energy: -162.868
where: short stacking energy: -60.211
Base-Backbone interact. energy: -1.434
local terms energy: -75.486268
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -246.247462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.247462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.247462 (E_RNA)
where:
Base-Base interactions energy: -169.453
where: short stacking energy: -73.100
Base-Backbone interact. energy: 0.421
local terms energy: -77.216031
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -234.311444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.311444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.311444 (E_RNA)
where:
Base-Base interactions energy: -157.320
where: short stacking energy: -63.271
Base-Backbone interact. energy: -0.203
local terms energy: -76.789084
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -172.194004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.194004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.194004 (E_RNA)
where:
Base-Base interactions energy: -104.006
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.211
local terms energy: -67.977016
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -9.919
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: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -91.610164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.610164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.610164 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.123
local terms energy: -56.661015
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -112.217171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.217171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.217171 (E_RNA)
where:
Base-Base interactions energy: -57.756
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.208
local terms energy: -54.253250
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -83.698408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.698408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.698408 (E_RNA)
where:
Base-Base interactions energy: -32.763
where: short stacking energy: -32.763
Base-Backbone interact. energy: -0.004
local terms energy: -50.931396
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -5.631
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: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -88.118063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.118063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.118063 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -21.377
Base-Backbone interact. energy: -0.127
local terms energy: -54.900734
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: 0.907
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: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -247.856340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.856340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.856340 (E_RNA)
where:
Base-Base interactions energy: -167.384
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.285
local terms energy: -80.187092
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -21.736
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: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -240.131909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.131909 (E_RNA)
where:
Base-Base interactions energy: -174.438
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.195
local terms energy: -65.498746
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -244.327565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.327565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.327565 (E_RNA)
where:
Base-Base interactions energy: -165.977
where: short stacking energy: -77.104
Base-Backbone interact. energy: -0.183
local terms energy: -78.167044
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -224.737208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.737208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.737208 (E_RNA)
where:
Base-Base interactions energy: -154.699
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.261
local terms energy: -69.777733
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -230.422491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.422491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.422491 (E_RNA)
where:
Base-Base interactions energy: -156.690
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.453
local terms energy: -73.279684
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -178.503036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.503036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.503036 (E_RNA)
where:
Base-Base interactions energy: -101.691
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.054
local terms energy: -76.758339
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -118.084145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.084145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.084145 (E_RNA)
where:
Base-Base interactions energy: -64.944
where: short stacking energy: -36.295
Base-Backbone interact. energy: -0.452
local terms energy: -52.688354
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: 1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -95.103696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.103696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.103696 (E_RNA)
where:
Base-Base interactions energy: -39.563
where: short stacking energy: -33.348
Base-Backbone interact. energy: -0.359
local terms energy: -55.182592
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -0.650
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: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -86.402633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.402633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.402633 (E_RNA)
where:
Base-Base interactions energy: -29.462
where: short stacking energy: -29.462
Base-Backbone interact. energy: -0.118
local terms energy: -56.823411
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -90.477980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.477980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.477980 (E_RNA)
where:
Base-Base interactions energy: -36.478
where: short stacking energy: -36.478
Base-Backbone interact. energy: -0.168
local terms energy: -53.832401
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -240.217986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.217986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.217986 (E_RNA)
where:
Base-Base interactions energy: -156.194
where: short stacking energy: -74.582
Base-Backbone interact. energy: -0.674
local terms energy: -83.350410
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -239.853119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.853119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.853119 (E_RNA)
where:
Base-Base interactions energy: -169.748
where: short stacking energy: -76.478
Base-Backbone interact. energy: -0.296
local terms energy: -69.808750
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -230.761163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.761163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.761163 (E_RNA)
where:
Base-Base interactions energy: -157.440
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.049
local terms energy: -73.272601
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -226.292691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.292691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.292691 (E_RNA)
where:
Base-Base interactions energy: -166.450
where: short stacking energy: -68.562
Base-Backbone interact. energy: -0.351
local terms energy: -59.491735
where:
bonds (distance) C4'-P energy: -5.716
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -224.704561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.704561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.704561 (E_RNA)
where:
Base-Base interactions energy: -163.496
where: short stacking energy: -68.317
Base-Backbone interact. energy: 1.479
local terms energy: -62.687264
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -184.582113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.582113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.582113 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.003
local terms energy: -69.534640
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -105.875515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.875515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.875515 (E_RNA)
where:
Base-Base interactions energy: -49.720
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.117
local terms energy: -56.038674
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -85.741129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.741129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.741129 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -30.697
Base-Backbone interact. energy: 0.328
local terms energy: -55.371839
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -6.434
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: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -96.965248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.965248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.965248 (E_RNA)
where:
Base-Base interactions energy: -32.261
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.059
local terms energy: -64.645257
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -81.030901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.030901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.030901 (E_RNA)
where:
Base-Base interactions energy: -30.179
where: short stacking energy: -27.250
Base-Backbone interact. energy: -0.089
local terms energy: -50.763002
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -252.754021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.754021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.754021 (E_RNA)
where:
Base-Base interactions energy: -176.736
where: short stacking energy: -70.765
Base-Backbone interact. energy: -0.066
local terms energy: -75.952328
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -237.616526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.616526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.616526 (E_RNA)
where:
Base-Base interactions energy: -157.193
where: short stacking energy: -66.486
Base-Backbone interact. energy: 0.481
local terms energy: -80.904702
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -245.884624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.884624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.884624 (E_RNA)
where:
Base-Base interactions energy: -167.278
where: short stacking energy: -78.834
Base-Backbone interact. energy: -0.215
local terms energy: -78.392236
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -240.483087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.483087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.483087 (E_RNA)
where:
Base-Base interactions energy: -170.180
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.352
local terms energy: -69.951646
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -225.576941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.576941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.576941 (E_RNA)
where:
Base-Base interactions energy: -158.226
where: short stacking energy: -71.161
Base-Backbone interact. energy: -0.787
local terms energy: -66.564264
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -12.745
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: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -179.641638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.641638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.641638 (E_RNA)
where:
Base-Base interactions energy: -116.997
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.130
local terms energy: -62.514322
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -12.855
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: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -105.517597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.517597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.517597 (E_RNA)
where:
Base-Base interactions energy: -37.958
where: short stacking energy: -37.958
Base-Backbone interact. energy: -0.803
local terms energy: -66.755848
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -80.260272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.260272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.260272 (E_RNA)
where:
Base-Base interactions energy: -27.834
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.093
local terms energy: -52.333364
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -97.354791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.354791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.354791 (E_RNA)
where:
Base-Base interactions energy: -45.594
where: short stacking energy: -45.594
Base-Backbone interact. energy: 0.711
local terms energy: -52.472023
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -79.962670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.962670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.962670 (E_RNA)
where:
Base-Base interactions energy: -21.292
where: short stacking energy: -20.682
Base-Backbone interact. energy: -0.307
local terms energy: -58.363825
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -14.214
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: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -254.324879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.324879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.324879 (E_RNA)
where:
Base-Base interactions energy: -173.057
where: short stacking energy: -67.526
Base-Backbone interact. energy: 1.632
local terms energy: -82.899870
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -245.297735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.297735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.297735 (E_RNA)
where:
Base-Base interactions energy: -158.907
where: short stacking energy: -79.176
Base-Backbone interact. energy: -1.008
local terms energy: -85.383107
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -23.638
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: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -237.921364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.921364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.921364 (E_RNA)
where:
Base-Base interactions energy: -163.344
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.828
local terms energy: -73.749151
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -233.443135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.443135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.443135 (E_RNA)
where:
Base-Base interactions energy: -160.611
where: short stacking energy: -63.816
Base-Backbone interact. energy: -0.753
local terms energy: -72.079042
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -10.657
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: 261
Temperature: 1.100000
Total energy: -234.950080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.950080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.950080 (E_RNA)
where:
Base-Base interactions energy: -162.577
where: short stacking energy: -69.878
Base-Backbone interact. energy: -0.070
local terms energy: -72.302980
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -13.974
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: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -188.040448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.040448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.040448 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -63.423
Base-Backbone interact. energy: -0.227
local terms energy: -69.863047
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -88.655433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.655433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.655433 (E_RNA)
where:
Base-Base interactions energy: -30.060
where: short stacking energy: -30.460
Base-Backbone interact. energy: -1.196
local terms energy: -57.399094
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -89.171905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.171905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.171905 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.293
local terms energy: -53.565477
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: 3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -80.462591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.462591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.462591 (E_RNA)
where:
Base-Base interactions energy: -28.199
where: short stacking energy: -25.084
Base-Backbone interact. energy: -0.180
local terms energy: -52.083989
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -80.636405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.636405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.636405 (E_RNA)
where:
Base-Base interactions energy: -15.912
where: short stacking energy: -15.127
Base-Backbone interact. energy: 0.076
local terms energy: -64.799679
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -260.677118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.677118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.677118 (E_RNA)
where:
Base-Base interactions energy: -173.796
where: short stacking energy: -77.250
Base-Backbone interact. energy: -0.204
local terms energy: -86.677497
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -242.402040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.402040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.402040 (E_RNA)
where:
Base-Base interactions energy: -160.695
where: short stacking energy: -79.848
Base-Backbone interact. energy: 0.901
local terms energy: -82.608715
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -238.092651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.092651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.092651 (E_RNA)
where:
Base-Base interactions energy: -163.362
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.616
local terms energy: -74.113810
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -238.555765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.555765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.555765 (E_RNA)
where:
Base-Base interactions energy: -162.529
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.273
local terms energy: -75.754205
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -231.860477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.860477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.860477 (E_RNA)
where:
Base-Base interactions energy: -158.861
where: short stacking energy: -63.420
Base-Backbone interact. energy: 1.852
local terms energy: -74.852200
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -178.845224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.845224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.845224 (E_RNA)
where:
Base-Base interactions energy: -116.622
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.163
local terms energy: -62.060225
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -12.088
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: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -101.302799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.302799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.302799 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -40.783
Base-Backbone interact. energy: -0.216
local terms energy: -60.303350
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -10.224
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: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -78.543866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.543866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.543866 (E_RNA)
where:
Base-Base interactions energy: -27.680
where: short stacking energy: -25.679
Base-Backbone interact. energy: 0.163
local terms energy: -51.026640
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -13.490
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: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -90.301379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.301379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.301379 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.335
local terms energy: -57.701034
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -79.843140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.843140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.843140 (E_RNA)
where:
Base-Base interactions energy: -29.426
where: short stacking energy: -28.674
Base-Backbone interact. energy: -0.172
local terms energy: -50.244434
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -254.829538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.829538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.829538 (E_RNA)
where:
Base-Base interactions energy: -178.462
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.269
local terms energy: -76.098209
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -242.655443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.655443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.655443 (E_RNA)
where:
Base-Base interactions energy: -170.732
where: short stacking energy: -74.349
Base-Backbone interact. energy: 0.437
local terms energy: -72.360382
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -236.084238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.084238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.084238 (E_RNA)
where:
Base-Base interactions energy: -147.549
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.366
local terms energy: -88.169518
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -21.679
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: 263
Temperature: 1.050000
Total energy: -231.484770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.484770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.484770 (E_RNA)
where:
Base-Base interactions energy: -156.203
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.334
local terms energy: -74.947734
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -243.028080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.028080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.028080 (E_RNA)
where:
Base-Base interactions energy: -166.624
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.288
local terms energy: -76.115734
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -8.431
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: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -159.791400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.791400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.791400 (E_RNA)
where:
Base-Base interactions energy: -93.378
where: short stacking energy: -57.718
Base-Backbone interact. energy: -0.013
local terms energy: -66.400239
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -96.304323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.304323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.304323 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.058
local terms energy: -56.928009
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -92.341542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.341542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.341542 (E_RNA)
where:
Base-Base interactions energy: -40.802
where: short stacking energy: -40.287
Base-Backbone interact. energy: -0.190
local terms energy: -51.349340
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -5.306
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: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -90.516472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.516472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.516472 (E_RNA)
where:
Base-Base interactions energy: -33.927
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.153
local terms energy: -56.436954
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -79.269804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.269804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.269804 (E_RNA)
where:
Base-Base interactions energy: -33.796
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.168
local terms energy: -45.305557
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: 1.350
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: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -247.058313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.058313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.058313 (E_RNA)
where:
Base-Base interactions energy: -163.625
where: short stacking energy: -75.517
Base-Backbone interact. energy: 0.790
local terms energy: -84.223759
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -254.939633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.939633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.939633 (E_RNA)
where:
Base-Base interactions energy: -175.576
where: short stacking energy: -81.542
Base-Backbone interact. energy: -0.248
local terms energy: -79.115269
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -21.924
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: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -238.631388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.631388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.631388 (E_RNA)
where:
Base-Base interactions energy: -153.956
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.508
local terms energy: -84.167496
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -232.186551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.186551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.186551 (E_RNA)
where:
Base-Base interactions energy: -163.188
where: short stacking energy: -65.946
Base-Backbone interact. energy: 0.397
local terms energy: -69.395381
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -11.984
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: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -230.491129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.491129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.491129 (E_RNA)
where:
Base-Base interactions energy: -154.460
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.324
local terms energy: -75.706842
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -177.676773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.676773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.676773 (E_RNA)
where:
Base-Base interactions energy: -110.636
where: short stacking energy: -52.468
Base-Backbone interact. energy: -0.321
local terms energy: -66.719696
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -14.027
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: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -90.678375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.678375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.678375 (E_RNA)
where:
Base-Base interactions energy: -35.806
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.245
local terms energy: -54.627502
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -6.319
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: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -100.365837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.365837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.365837 (E_RNA)
where:
Base-Base interactions energy: -44.665
where: short stacking energy: -44.665
Base-Backbone interact. energy: -0.176
local terms energy: -55.525474
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -94.625447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.625447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.625447 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -30.799
Base-Backbone interact. energy: 0.574
local terms energy: -55.941972
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -79.831276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.831276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.831276 (E_RNA)
where:
Base-Base interactions energy: -28.499
where: short stacking energy: -27.932
Base-Backbone interact. energy: -0.528
local terms energy: -50.805044
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -8.538
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: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -239.008513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.008513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.008513 (E_RNA)
where:
Base-Base interactions energy: -160.155
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.259
local terms energy: -78.593710
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -239.696578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.696578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.696578 (E_RNA)
where:
Base-Base interactions energy: -167.352
where: short stacking energy: -59.064
Base-Backbone interact. energy: 0.694
local terms energy: -73.038942
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -240.217298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.217298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.217298 (E_RNA)
where:
Base-Base interactions energy: -166.035
where: short stacking energy: -69.143
Base-Backbone interact. energy: -0.579
local terms energy: -73.603733
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -233.803174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.803174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.803174 (E_RNA)
where:
Base-Base interactions energy: -155.486
where: short stacking energy: -75.134
Base-Backbone interact. energy: -0.879
local terms energy: -77.437873
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.369
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: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -221.823343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.823343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.823343 (E_RNA)
where:
Base-Base interactions energy: -152.184
where: short stacking energy: -59.419
Base-Backbone interact. energy: 1.419
local terms energy: -71.058976
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -166.020672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.020672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.020672 (E_RNA)
where:
Base-Base interactions energy: -97.399
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.070
local terms energy: -68.550810
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -94.879551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.879551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.879551 (E_RNA)
where:
Base-Base interactions energy: -40.425
where: short stacking energy: -40.583
Base-Backbone interact. energy: -0.140
local terms energy: -54.314320
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -105.983769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.983769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.983769 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -35.888
Base-Backbone interact. energy: -0.164
local terms energy: -64.407572
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -88.987418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.987418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.987418 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -29.183
Base-Backbone interact. energy: 0.063
local terms energy: -59.867174
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -88.175132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.175132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.175132 (E_RNA)
where:
Base-Base interactions energy: -36.966
where: short stacking energy: -36.966
Base-Backbone interact. energy: -0.913
local terms energy: -50.295772
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -240.232793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.232793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.232793 (E_RNA)
where:
Base-Base interactions energy: -167.796
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.958
local terms energy: -71.478449
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -240.857935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.857935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.857935 (E_RNA)
where:
Base-Base interactions energy: -158.984
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.137
local terms energy: -81.736416
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -241.505825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.505825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.505825 (E_RNA)
where:
Base-Base interactions energy: -161.992
where: short stacking energy: -76.396
Base-Backbone interact. energy: -0.461
local terms energy: -79.052635
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -238.567659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.567659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.567659 (E_RNA)
where:
Base-Base interactions energy: -160.825
where: short stacking energy: -74.170
Base-Backbone interact. energy: -0.068
local terms energy: -77.674498
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -229.902410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.902410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.902410 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.372
local terms energy: -77.005682
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -18.901
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: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -112.199247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.199247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.199247 (E_RNA)
where:
Base-Base interactions energy: -49.500
where: short stacking energy: -45.872
Base-Backbone interact. energy: -0.034
local terms energy: -62.665116
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -92.057316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.057316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.057316 (E_RNA)
where:
Base-Base interactions energy: -33.650
where: short stacking energy: -24.618
Base-Backbone interact. energy: 1.927
local terms energy: -60.334180
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -6.639
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: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -95.982230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.982230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.982230 (E_RNA)
where:
Base-Base interactions energy: -49.480
where: short stacking energy: -37.742
Base-Backbone interact. energy: 0.077
local terms energy: -46.579882
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -11.126
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: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -91.304753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.304753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.304753 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -32.163
Base-Backbone interact. energy: -0.153
local terms energy: -57.774561
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -7.964
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -85.769605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.769605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.769605 (E_RNA)
where:
Base-Base interactions energy: -31.098
where: short stacking energy: -18.734
Base-Backbone interact. energy: -1.566
local terms energy: -53.105449
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -241.744077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.744077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.744077 (E_RNA)
where:
Base-Base interactions energy: -158.339
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.533
local terms energy: -82.871413
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -13.467
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: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -240.326568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.326568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.326568 (E_RNA)
where:
Base-Base interactions energy: -160.630
where: short stacking energy: -73.986
Base-Backbone interact. energy: -0.983
local terms energy: -78.713598
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -242.520191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.520191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.520191 (E_RNA)
where:
Base-Base interactions energy: -165.715
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.791
local terms energy: -76.013732
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -11.729
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: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -229.257489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.257489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.257489 (E_RNA)
where:
Base-Base interactions energy: -150.789
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.639
local terms energy: -77.829389
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -236.515967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.515967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.515967 (E_RNA)
where:
Base-Base interactions energy: -161.490
where: short stacking energy: -75.804
Base-Backbone interact. energy: -0.536
local terms energy: -74.490660
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -20.604
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: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -103.182822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.182822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.182822 (E_RNA)
where:
Base-Base interactions energy: -44.902
where: short stacking energy: -25.558
Base-Backbone interact. energy: -0.281
local terms energy: -58.000555
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.162
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: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -109.317104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.317104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.317104 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -34.453
Base-Backbone interact. energy: -0.566
local terms energy: -61.309190
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -11.726
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: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -88.239437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.239437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.239437 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.022
local terms energy: -54.713647
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -8.074
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -13.294
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: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -89.124162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.124162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.124162 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -26.686
Base-Backbone interact. energy: 0.787
local terms energy: -48.689818
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -84.000437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.000437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.000437 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -30.267
Base-Backbone interact. energy: 0.476
local terms energy: -52.231761
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -0.161
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: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -247.428563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.428563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.428563 (E_RNA)
where:
Base-Base interactions energy: -169.424
where: short stacking energy: -76.045
Base-Backbone interact. energy: -0.541
local terms energy: -77.463140
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -251.529443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.529443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.529443 (E_RNA)
where:
Base-Base interactions energy: -163.483
where: short stacking energy: -65.458
Base-Backbone interact. energy: -1.241
local terms energy: -86.805619
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -13.715
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: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -238.099489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.099489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.099489 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -72.475
Base-Backbone interact. energy: -1.305
local terms energy: -86.446889
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -223.935997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.935997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.935997 (E_RNA)
where:
Base-Base interactions energy: -160.595
where: short stacking energy: -61.455
Base-Backbone interact. energy: 0.414
local terms energy: -63.754456
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -223.301998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.301998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.301998 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -71.714
Base-Backbone interact. energy: 0.097
local terms energy: -71.563934
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -111.981099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.981099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.981099 (E_RNA)
where:
Base-Base interactions energy: -53.430
where: short stacking energy: -36.777
Base-Backbone interact. energy: 0.633
local terms energy: -59.184462
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -98.211592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211592 (E_RNA)
where:
Base-Base interactions energy: -45.893
where: short stacking energy: -35.577
Base-Backbone interact. energy: -1.152
local terms energy: -51.166580
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -96.386783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.386783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.386783 (E_RNA)
where:
Base-Base interactions energy: -37.429
where: short stacking energy: -37.429
Base-Backbone interact. energy: 0.402
local terms energy: -59.359694
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -11.358
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: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -92.116576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116576 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -20.930
Base-Backbone interact. energy: -0.258
local terms energy: -58.762986
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -85.749677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.749677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.749677 (E_RNA)
where:
Base-Base interactions energy: -33.668
where: short stacking energy: -33.668
Base-Backbone interact. energy: -0.004
local terms energy: -52.077364
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -9.297
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -252.001034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.001034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.001034 (E_RNA)
where:
Base-Base interactions energy: -174.275
where: short stacking energy: -78.747
Base-Backbone interact. energy: -0.356
local terms energy: -77.370588
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -235.296621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.296621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.296621 (E_RNA)
where:
Base-Base interactions energy: -153.462
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.124
local terms energy: -81.710104
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -236.695291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.695291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.695291 (E_RNA)
where:
Base-Base interactions energy: -157.767
where: short stacking energy: -71.887
Base-Backbone interact. energy: -1.063
local terms energy: -77.865408
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -230.666079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.666079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.666079 (E_RNA)
where:
Base-Base interactions energy: -157.142
where: short stacking energy: -72.982
Base-Backbone interact. energy: -1.004
local terms energy: -72.520492
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -22.149
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: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -226.028151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.028151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.028151 (E_RNA)
where:
Base-Base interactions energy: -159.283
where: short stacking energy: -67.899
Base-Backbone interact. energy: 0.981
local terms energy: -67.726370
where:
bonds (distance) C4'-P energy: -6.086
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -97.303957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.303957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.303957 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -38.064
Base-Backbone interact. energy: -1.007
local terms energy: -55.191484
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -92.984410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.984410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.984410 (E_RNA)
where:
Base-Base interactions energy: -49.993
where: short stacking energy: -35.954
Base-Backbone interact. energy: 2.847
local terms energy: -45.838574
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -160.765080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.765080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.765080 (E_RNA)
where:
Base-Base interactions energy: -111.108
where: short stacking energy: -39.719
Base-Backbone interact. energy: 0.266
local terms energy: -49.923215
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -9.050
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: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -96.729814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.729814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.729814 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -33.267
Base-Backbone interact. energy: -0.272
local terms energy: -50.911662
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -78.969521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.969521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.969521 (E_RNA)
where:
Base-Base interactions energy: -31.169
where: short stacking energy: -24.680
Base-Backbone interact. energy: -0.602
local terms energy: -47.199169
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -6.700
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -255.332420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.332420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.332420 (E_RNA)
where:
Base-Base interactions energy: -183.492
where: short stacking energy: -79.991
Base-Backbone interact. energy: 0.048
local terms energy: -71.889163
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -17.768
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: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -243.210287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.210287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.210287 (E_RNA)
where:
Base-Base interactions energy: -165.772
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.284
local terms energy: -77.154550
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -235.307598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.307598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.307598 (E_RNA)
where:
Base-Base interactions energy: -148.199
where: short stacking energy: -66.583
Base-Backbone interact. energy: -1.601
local terms energy: -85.507254
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -233.725537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.725537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.725537 (E_RNA)
where:
Base-Base interactions energy: -152.753
where: short stacking energy: -70.878
Base-Backbone interact. energy: 0.168
local terms energy: -81.139944
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -220.781494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.781494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.781494 (E_RNA)
where:
Base-Base interactions energy: -155.000
where: short stacking energy: -69.803
Base-Backbone interact. energy: 0.545
local terms energy: -66.326539
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -110.207188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.207188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.207188 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -44.089
Base-Backbone interact. energy: -0.076
local terms energy: -65.251134
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -7.424
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: 270
Temperature: 1.200000
Total energy: -167.304405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.304405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.304405 (E_RNA)
where:
Base-Base interactions energy: -104.886
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.274
local terms energy: -62.145139
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -5.581
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: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -99.064439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.064439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.064439 (E_RNA)
where:
Base-Base interactions energy: -42.716
where: short stacking energy: -42.716
Base-Backbone interact. energy: 0.536
local terms energy: -56.884053
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -95.193462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.193462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.193462 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.864
local terms energy: -51.373616
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -77.723490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.723490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.723490 (E_RNA)
where:
Base-Base interactions energy: -34.297
where: short stacking energy: -33.841
Base-Backbone interact. energy: -0.144
local terms energy: -43.282685
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.125
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: 271
Temperature: 0.900000
Total energy: -257.024794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.024794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.024794 (E_RNA)
where:
Base-Base interactions energy: -177.518
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.321
local terms energy: -79.185511
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -11.990
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: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -255.453767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.453767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.453767 (E_RNA)
where:
Base-Base interactions energy: -172.519
where: short stacking energy: -77.912
Base-Backbone interact. energy: -0.788
local terms energy: -82.146887
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -230.314752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.314752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.314752 (E_RNA)
where:
Base-Base interactions energy: -155.109
where: short stacking energy: -65.570
Base-Backbone interact. energy: -0.099
local terms energy: -75.107010
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -231.348319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.348319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.348319 (E_RNA)
where:
Base-Base interactions energy: -157.369
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.076
local terms energy: -73.902901
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -232.097950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.097950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.097950 (E_RNA)
where:
Base-Base interactions energy: -166.495
where: short stacking energy: -76.215
Base-Backbone interact. energy: 1.547
local terms energy: -67.149981
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -177.484782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.484782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.484782 (E_RNA)
where:
Base-Base interactions energy: -115.089
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.524
local terms energy: -61.872254
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.534
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: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -99.070314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.070314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.070314 (E_RNA)
where:
Base-Base interactions energy: -37.253
where: short stacking energy: -30.863
Base-Backbone interact. energy: -0.107
local terms energy: -61.710556
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -90.362456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.362456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.362456 (E_RNA)
where:
Base-Base interactions energy: -28.338
where: short stacking energy: -27.000
Base-Backbone interact. energy: -0.235
local terms energy: -61.789464
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -95.980400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980400 (E_RNA)
where:
Base-Base interactions energy: -44.676
where: short stacking energy: -43.186
Base-Backbone interact. energy: -0.008
local terms energy: -51.296321
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: 0.985
tors. eta vs tors. theta energy: -12.345
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: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -81.261448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.261448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.261448 (E_RNA)
where:
Base-Base interactions energy: -24.414
where: short stacking energy: -24.414
Base-Backbone interact. energy: -0.232
local terms energy: -56.615302
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -257.343970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.343970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.343970 (E_RNA)
where:
Base-Base interactions energy: -183.913
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.391
local terms energy: -73.039776
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -10.066
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: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -246.570343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.570343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.570343 (E_RNA)
where:
Base-Base interactions energy: -168.722
where: short stacking energy: -65.796
Base-Backbone interact. energy: -0.353
local terms energy: -77.495018
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.932
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: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -228.641450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.641450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.641450 (E_RNA)
where:
Base-Base interactions energy: -153.362
where: short stacking energy: -67.340
Base-Backbone interact. energy: -0.141
local terms energy: -75.139143
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -229.138932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.138932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.138932 (E_RNA)
where:
Base-Base interactions energy: -153.482
where: short stacking energy: -63.294
Base-Backbone interact. energy: -0.364
local terms energy: -75.293208
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -227.950228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.950228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.950228 (E_RNA)
where:
Base-Base interactions energy: -154.089
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.169
local terms energy: -73.692322
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -178.077772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.077772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.077772 (E_RNA)
where:
Base-Base interactions energy: -113.078
where: short stacking energy: -49.927
Base-Backbone interact. energy: -0.679
local terms energy: -64.320555
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -10.193
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: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -112.344361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.344361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.344361 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.089
local terms energy: -72.803012
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -91.606507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606507 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -33.461
Base-Backbone interact. energy: -0.201
local terms energy: -52.109979
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -83.263010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.263010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.263010 (E_RNA)
where:
Base-Base interactions energy: -26.022
where: short stacking energy: -25.237
Base-Backbone interact. energy: -0.200
local terms energy: -57.040318
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -8.228
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: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -94.327334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.327334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.327334 (E_RNA)
where:
Base-Base interactions energy: -46.432
where: short stacking energy: -36.520
Base-Backbone interact. energy: -0.250
local terms energy: -47.645452
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -4.207
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: 273
Temperature: 0.900000
Total energy: -254.403654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.403654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.403654 (E_RNA)
where:
Base-Base interactions energy: -178.119
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.082
local terms energy: -76.203062
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -251.746845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.746845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.746845 (E_RNA)
where:
Base-Base interactions energy: -172.023
where: short stacking energy: -74.763
Base-Backbone interact. energy: -0.052
local terms energy: -79.672161
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -223.049635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.049635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.049635 (E_RNA)
where:
Base-Base interactions energy: -152.038
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.171
local terms energy: -70.840542
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -238.137681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.137681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.137681 (E_RNA)
where:
Base-Base interactions energy: -158.150
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.208
local terms energy: -79.780098
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -226.501208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.501208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.501208 (E_RNA)
where:
Base-Base interactions energy: -162.537
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.139
local terms energy: -63.824937
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -219.628445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.628445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.628445 (E_RNA)
where:
Base-Base interactions energy: -147.518
where: short stacking energy: -60.168
Base-Backbone interact. energy: 0.890
local terms energy: -73.000319
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.182
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: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -96.478375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.478375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.478375 (E_RNA)
where:
Base-Base interactions energy: -34.862
where: short stacking energy: -34.862
Base-Backbone interact. energy: -0.164
local terms energy: -61.451895
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -91.565445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.565445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.565445 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.491
local terms energy: -57.347509
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: 1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -86.653790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.653790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.653790 (E_RNA)
where:
Base-Base interactions energy: -35.697
where: short stacking energy: -32.366
Base-Backbone interact. energy: -0.488
local terms energy: -50.468802
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -79.633947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.633947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.633947 (E_RNA)
where:
Base-Base interactions energy: -23.552
where: short stacking energy: -23.552
Base-Backbone interact. energy: -0.067
local terms energy: -56.015190
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -249.234998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.234998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.234998 (E_RNA)
where:
Base-Base interactions energy: -168.765
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.023
local terms energy: -80.446837
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -263.058535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.058535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.058535 (E_RNA)
where:
Base-Base interactions energy: -179.139
where: short stacking energy: -78.379
Base-Backbone interact. energy: 0.222
local terms energy: -84.140704
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -248.960887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.960887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.960887 (E_RNA)
where:
Base-Base interactions energy: -166.648
where: short stacking energy: -71.273
Base-Backbone interact. energy: -0.224
local terms energy: -82.089544
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -12.231
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: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -226.096292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.096292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.096292 (E_RNA)
where:
Base-Base interactions energy: -154.558
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.143
local terms energy: -71.395998
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -219.086115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.086115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.086115 (E_RNA)
where:
Base-Base interactions energy: -149.704
where: short stacking energy: -69.008
Base-Backbone interact. energy: 0.708
local terms energy: -70.090585
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -216.201424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.201424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.201424 (E_RNA)
where:
Base-Base interactions energy: -142.278
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.262
local terms energy: -73.661372
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -101.349391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.349391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.349391 (E_RNA)
where:
Base-Base interactions energy: -44.608
where: short stacking energy: -41.544
Base-Backbone interact. energy: -0.041
local terms energy: -56.700950
where:
bonds (distance) C4'-P energy: -6.459
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -86.788468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.788468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.788468 (E_RNA)
where:
Base-Base interactions energy: -24.709
where: short stacking energy: -20.815
Base-Backbone interact. energy: -0.140
local terms energy: -61.938914
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -94.752826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.752826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.752826 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -31.026
Base-Backbone interact. energy: 0.482
local terms energy: -53.759574
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -74.839224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.839224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.839224 (E_RNA)
where:
Base-Base interactions energy: -27.593
where: short stacking energy: -26.492
Base-Backbone interact. energy: 1.609
local terms energy: -48.855219
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -256.645853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.645853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.645853 (E_RNA)
where:
Base-Base interactions energy: -180.247
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.336
local terms energy: -76.062491
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -11.243
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: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -248.245628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.245628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.245628 (E_RNA)
where:
Base-Base interactions energy: -172.163
where: short stacking energy: -67.980
Base-Backbone interact. energy: 0.868
local terms energy: -76.950626
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -252.645829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.645829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.645829 (E_RNA)
where:
Base-Base interactions energy: -177.503
where: short stacking energy: -74.623
Base-Backbone interact. energy: 0.643
local terms energy: -75.785909
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -236.510617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.510617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.510617 (E_RNA)
where:
Base-Base interactions energy: -169.666
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.385
local terms energy: -66.459604
where:
bonds (distance) C4'-P energy: -7.629
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -17.695
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: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -224.063708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.063708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.063708 (E_RNA)
where:
Base-Base interactions energy: -158.896
where: short stacking energy: -52.006
Base-Backbone interact. energy: -0.708
local terms energy: -64.459497
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -6.008
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: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -218.257726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.257726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.257726 (E_RNA)
where:
Base-Base interactions energy: -150.429
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.336
local terms energy: -67.491815
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.962
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: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -97.155248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.155248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.155248 (E_RNA)
where:
Base-Base interactions energy: -37.065
where: short stacking energy: -37.065
Base-Backbone interact. energy: -0.201
local terms energy: -59.888886
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -95.029096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.029096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.029096 (E_RNA)
where:
Base-Base interactions energy: -40.426
where: short stacking energy: -33.048
Base-Backbone interact. energy: 0.145
local terms energy: -54.747773
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -9.170
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -96.547978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.547978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.547978 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.083
local terms energy: -61.312395
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -10.996
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: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -85.311707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.311707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.311707 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.066
local terms energy: -52.113886
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -254.501511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.501511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.501511 (E_RNA)
where:
Base-Base interactions energy: -190.029
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.203
local terms energy: -64.269441
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.602
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: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -250.017168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.017168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.017168 (E_RNA)
where:
Base-Base interactions energy: -169.746
where: short stacking energy: -67.391
Base-Backbone interact. energy: 0.321
local terms energy: -80.591960
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -12.951
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: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -237.895535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.895535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.895535 (E_RNA)
where:
Base-Base interactions energy: -159.323
where: short stacking energy: -55.666
Base-Backbone interact. energy: -0.737
local terms energy: -77.835115
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -16.248
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: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -237.517759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.517759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.517759 (E_RNA)
where:
Base-Base interactions energy: -170.197
where: short stacking energy: -68.201
Base-Backbone interact. energy: -0.633
local terms energy: -66.687994
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -233.345359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.345359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.345359 (E_RNA)
where:
Base-Base interactions energy: -156.168
where: short stacking energy: -67.288
Base-Backbone interact. energy: -0.325
local terms energy: -76.851953
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -14.315
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: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -205.685961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.685961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.685961 (E_RNA)
where:
Base-Base interactions energy: -140.194
where: short stacking energy: -60.594
Base-Backbone interact. energy: 2.511
local terms energy: -68.003552
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -15.616
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: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -93.463127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.463127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.463127 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.158
local terms energy: -52.277543
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -96.656057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.656057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.656057 (E_RNA)
where:
Base-Base interactions energy: -45.863
where: short stacking energy: -38.929
Base-Backbone interact. energy: -0.253
local terms energy: -50.539865
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -85.562626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562626 (E_RNA)
where:
Base-Base interactions energy: -31.911
where: short stacking energy: -24.802
Base-Backbone interact. energy: 0.221
local terms energy: -53.872680
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -9.995
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: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -101.207887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.207887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.207887 (E_RNA)
where:
Base-Base interactions energy: -54.513
where: short stacking energy: -27.563
Base-Backbone interact. energy: -0.174
local terms energy: -46.521038
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -255.595484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.595484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.595484 (E_RNA)
where:
Base-Base interactions energy: -176.197
where: short stacking energy: -71.592
Base-Backbone interact. energy: -0.169
local terms energy: -79.228637
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -13.065
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: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -243.306883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.306883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.306883 (E_RNA)
where:
Base-Base interactions energy: -179.941
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.811
local terms energy: -62.555182
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -252.302312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.302312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.302312 (E_RNA)
where:
Base-Base interactions energy: -183.496
where: short stacking energy: -69.715
Base-Backbone interact. energy: 1.052
local terms energy: -69.859032
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -233.408938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408938 (E_RNA)
where:
Base-Base interactions energy: -167.465
where: short stacking energy: -64.023
Base-Backbone interact. energy: 0.544
local terms energy: -66.487940
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -5.541
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: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -223.884352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.884352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.884352 (E_RNA)
where:
Base-Base interactions energy: -150.568
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.117
local terms energy: -73.199836
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -221.316876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.316876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.316876 (E_RNA)
where:
Base-Base interactions energy: -154.892
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.793
local terms energy: -65.631163
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.108
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: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -107.963900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.963900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.963900 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -39.943
Base-Backbone interact. energy: -0.186
local terms energy: -61.774533
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -90.821860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.821860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.821860 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -32.438
Base-Backbone interact. energy: -0.143
local terms energy: -55.886939
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -89.297788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.297788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.297788 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -31.747
Base-Backbone interact. energy: 0.205
local terms energy: -55.636764
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -102.263498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.263498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.263498 (E_RNA)
where:
Base-Base interactions energy: -48.885
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.142
local terms energy: -53.237153
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -261.639577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.639577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.639577 (E_RNA)
where:
Base-Base interactions energy: -174.940
where: short stacking energy: -73.764
Base-Backbone interact. energy: -0.608
local terms energy: -86.091415
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -13.401
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: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -243.447777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447777 (E_RNA)
where:
Base-Base interactions energy: -162.071
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.491
local terms energy: -80.885871
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -241.097618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.097618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.097618 (E_RNA)
where:
Base-Base interactions energy: -167.056
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.208
local terms energy: -73.833296
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -251.637616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.637616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.637616 (E_RNA)
where:
Base-Base interactions energy: -176.581
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.140
local terms energy: -74.916811
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -228.756597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.756597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.756597 (E_RNA)
where:
Base-Base interactions energy: -152.945
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.536
local terms energy: -75.275593
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -214.677100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.677100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677100 (E_RNA)
where:
Base-Base interactions energy: -146.622
where: short stacking energy: -68.491
Base-Backbone interact. energy: -0.272
local terms energy: -67.782890
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.479
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: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -105.355454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.355454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.355454 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.042
local terms energy: -63.957998
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -100.411898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.411898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.411898 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -31.652
Base-Backbone interact. energy: -0.019
local terms energy: -66.448004
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -88.086096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.086096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.086096 (E_RNA)
where:
Base-Base interactions energy: -32.258
where: short stacking energy: -22.641
Base-Backbone interact. energy: -0.127
local terms energy: -55.701505
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: 0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -84.384186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.384186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.384186 (E_RNA)
where:
Base-Base interactions energy: -26.204
where: short stacking energy: -26.204
Base-Backbone interact. energy: -0.326
local terms energy: -57.854589
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -253.108514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.108514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.108514 (E_RNA)
where:
Base-Base interactions energy: -179.658
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.328
local terms energy: -73.122997
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -16.957
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: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -235.902660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.902660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.902660 (E_RNA)
where:
Base-Base interactions energy: -164.555
where: short stacking energy: -70.141
Base-Backbone interact. energy: -0.681
local terms energy: -70.666595
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -227.407003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.407003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.407003 (E_RNA)
where:
Base-Base interactions energy: -164.307
where: short stacking energy: -59.592
Base-Backbone interact. energy: -0.494
local terms energy: -62.606592
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -8.935
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: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -246.292758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.292758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.292758 (E_RNA)
where:
Base-Base interactions energy: -174.852
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.125
local terms energy: -71.316115
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -239.405081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.405081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.405081 (E_RNA)
where:
Base-Base interactions energy: -156.717
where: short stacking energy: -58.670
Base-Backbone interact. energy: -0.314
local terms energy: -82.373439
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -218.338382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.338382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.338382 (E_RNA)
where:
Base-Base interactions energy: -141.992
where: short stacking energy: -57.633
Base-Backbone interact. energy: -2.967
local terms energy: -73.379784
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -91.952885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.952885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.952885 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -32.981
Base-Backbone interact. energy: -0.084
local terms energy: -53.019889
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -6.822
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -11.807
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: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -88.622648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.622648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.622648 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -34.203
Base-Backbone interact. energy: -0.006
local terms energy: -54.413831
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -86.916364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.916364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.916364 (E_RNA)
where:
Base-Base interactions energy: -38.695
where: short stacking energy: -30.120
Base-Backbone interact. energy: -0.146
local terms energy: -48.075249
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -90.062693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.062693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.062693 (E_RNA)
where:
Base-Base interactions energy: -46.653
where: short stacking energy: -36.896
Base-Backbone interact. energy: -0.021
local terms energy: -43.389162
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -0.215
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: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -249.096407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.096407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.096407 (E_RNA)
where:
Base-Base interactions energy: -172.078
where: short stacking energy: -73.515
Base-Backbone interact. energy: -0.271
local terms energy: -76.747936
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -240.582412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.582412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.582412 (E_RNA)
where:
Base-Base interactions energy: -171.591
where: short stacking energy: -54.879
Base-Backbone interact. energy: -0.280
local terms energy: -68.711299
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -249.325274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.325274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.325274 (E_RNA)
where:
Base-Base interactions energy: -176.880
where: short stacking energy: -69.885
Base-Backbone interact. energy: -0.124
local terms energy: -72.321385
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -238.333951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.333951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.333951 (E_RNA)
where:
Base-Base interactions energy: -157.855
where: short stacking energy: -62.974
Base-Backbone interact. energy: -1.572
local terms energy: -78.906922
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -225.442209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.442209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.442209 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -69.264
Base-Backbone interact. energy: 1.950
local terms energy: -76.544237
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -214.536768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.536768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.536768 (E_RNA)
where:
Base-Base interactions energy: -146.546
where: short stacking energy: -57.318
Base-Backbone interact. energy: 0.980
local terms energy: -68.971055
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -127.032798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.032798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.032798 (E_RNA)
where:
Base-Base interactions energy: -69.248
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.012
local terms energy: -57.772959
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -101.471741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.471741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.471741 (E_RNA)
where:
Base-Base interactions energy: -38.430
where: short stacking energy: -38.430
Base-Backbone interact. energy: 0.179
local terms energy: -63.221314
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -86.605482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.605482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.605482 (E_RNA)
where:
Base-Base interactions energy: -34.068
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.182
local terms energy: -52.355978
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -7.258
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -72.246982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.246982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.246982 (E_RNA)
where:
Base-Base interactions energy: -21.117
where: short stacking energy: -20.406
Base-Backbone interact. energy: -0.098
local terms energy: -51.031758
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.792
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: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -252.397347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.397347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.397347 (E_RNA)
where:
Base-Base interactions energy: -169.708
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.193
local terms energy: -82.496357
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -253.967905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.967905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.967905 (E_RNA)
where:
Base-Base interactions energy: -178.187
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.297
local terms energy: -75.484591
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -242.011354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.011354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.011354 (E_RNA)
where:
Base-Base interactions energy: -160.856
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.214
local terms energy: -80.941461
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -231.528926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.528926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.528926 (E_RNA)
where:
Base-Base interactions energy: -147.322
where: short stacking energy: -67.156
Base-Backbone interact. energy: -0.334
local terms energy: -83.873394
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -229.108316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.108316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.108316 (E_RNA)
where:
Base-Base interactions energy: -149.713
where: short stacking energy: -67.534
Base-Backbone interact. energy: 0.532
local terms energy: -79.927735
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -210.790874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.790874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.790874 (E_RNA)
where:
Base-Base interactions energy: -142.714
where: short stacking energy: -60.476
Base-Backbone interact. energy: 0.017
local terms energy: -68.093399
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -97.469134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.469134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.469134 (E_RNA)
where:
Base-Base interactions energy: -34.739
where: short stacking energy: -31.662
Base-Backbone interact. energy: 0.243
local terms energy: -62.973168
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -107.355203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.355203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.355203 (E_RNA)
where:
Base-Base interactions energy: -48.158
where: short stacking energy: -48.158
Base-Backbone interact. energy: -0.105
local terms energy: -59.091944
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -95.980767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980767 (E_RNA)
where:
Base-Base interactions energy: -48.497
where: short stacking energy: -30.900
Base-Backbone interact. energy: 1.557
local terms energy: -49.040988
where:
bonds (distance) C4'-P energy: -1.737
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -83.923648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.923648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.923648 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -33.606
Base-Backbone interact. energy: 0.623
local terms energy: -49.580763
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -4.226
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: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -258.299434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.299434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.299434 (E_RNA)
where:
Base-Base interactions energy: -177.367
where: short stacking energy: -66.570
Base-Backbone interact. energy: -0.056
local terms energy: -80.876083
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -10.229
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: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -247.822908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.822908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.822908 (E_RNA)
where:
Base-Base interactions energy: -177.170
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.057
local terms energy: -70.595393
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.159
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: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -242.596421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.596421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.596421 (E_RNA)
where:
Base-Base interactions energy: -170.242
where: short stacking energy: -67.664
Base-Backbone interact. energy: 1.479
local terms energy: -73.833431
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -15.646
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: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -234.911876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.911876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.911876 (E_RNA)
where:
Base-Base interactions energy: -159.242
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.129
local terms energy: -75.540734
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -228.941447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.941447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.941447 (E_RNA)
where:
Base-Base interactions energy: -158.729
where: short stacking energy: -70.562
Base-Backbone interact. energy: 0.997
local terms energy: -71.208989
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -17.850
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: 282
Temperature: 1.150000
Total energy: -226.238616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.238616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.238616 (E_RNA)
where:
Base-Base interactions energy: -148.721
where: short stacking energy: -65.428
Base-Backbone interact. energy: -0.309
local terms energy: -77.208199
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -106.487142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.487142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.487142 (E_RNA)
where:
Base-Base interactions energy: -52.584
where: short stacking energy: -41.304
Base-Backbone interact. energy: -0.191
local terms energy: -53.712932
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -8.928
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: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -94.928114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.928114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.928114 (E_RNA)
where:
Base-Base interactions energy: -48.525
where: short stacking energy: -39.020
Base-Backbone interact. energy: -0.156
local terms energy: -46.247073
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -99.689819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.689819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.689819 (E_RNA)
where:
Base-Base interactions energy: -39.866
where: short stacking energy: -25.705
Base-Backbone interact. energy: -0.104
local terms energy: -59.719796
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -96.845891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.845891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.845891 (E_RNA)
where:
Base-Base interactions energy: -42.408
where: short stacking energy: -23.822
Base-Backbone interact. energy: -1.601
local terms energy: -52.837019
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -255.144096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.144096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.144096 (E_RNA)
where:
Base-Base interactions energy: -179.874
where: short stacking energy: -65.893
Base-Backbone interact. energy: -0.082
local terms energy: -75.187783
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -8.139
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: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -247.029993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.029993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.029993 (E_RNA)
where:
Base-Base interactions energy: -177.050
where: short stacking energy: -73.167
Base-Backbone interact. energy: -0.269
local terms energy: -69.711338
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -235.077937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.077937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.077937 (E_RNA)
where:
Base-Base interactions energy: -163.507
where: short stacking energy: -62.904
Base-Backbone interact. energy: 1.960
local terms energy: -73.531139
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.186
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: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -233.173091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.173091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.173091 (E_RNA)
where:
Base-Base interactions energy: -157.993
where: short stacking energy: -69.590
Base-Backbone interact. energy: -0.262
local terms energy: -74.918957
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -226.625164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.625164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.625164 (E_RNA)
where:
Base-Base interactions energy: -156.244
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.172
local terms energy: -70.208358
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -217.803024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.803024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.803024 (E_RNA)
where:
Base-Base interactions energy: -137.319
where: short stacking energy: -58.311
Base-Backbone interact. energy: 2.284
local terms energy: -82.768008
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -100.296401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.296401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.296401 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.106
local terms energy: -58.609893
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -91.288401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.288401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.288401 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -27.888
Base-Backbone interact. energy: -0.157
local terms energy: -61.480237
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -2.415
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: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -89.150571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.150571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.150571 (E_RNA)
where:
Base-Base interactions energy: -44.782
where: short stacking energy: -34.739
Base-Backbone interact. energy: -0.028
local terms energy: -44.339859
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.973
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: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -76.232197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.232197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.232197 (E_RNA)
where:
Base-Base interactions energy: -26.058
where: short stacking energy: -26.058
Base-Backbone interact. energy: -0.045
local terms energy: -50.129327
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: 0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -253.185319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.185319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.185319 (E_RNA)
where:
Base-Base interactions energy: -180.161
where: short stacking energy: -69.816
Base-Backbone interact. energy: -0.198
local terms energy: -72.826243
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -257.505473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.505473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.505473 (E_RNA)
where:
Base-Base interactions energy: -178.883
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.125
local terms energy: -78.496777
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -18.332
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: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -241.285812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.285812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.285812 (E_RNA)
where:
Base-Base interactions energy: -172.868
where: short stacking energy: -61.560
Base-Backbone interact. energy: 0.160
local terms energy: -68.576911
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -230.383323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.383323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.383323 (E_RNA)
where:
Base-Base interactions energy: -159.502
where: short stacking energy: -70.022
Base-Backbone interact. energy: 0.071
local terms energy: -70.952856
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.705
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: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -224.971314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.971314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.971314 (E_RNA)
where:
Base-Base interactions energy: -146.618
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.495
local terms energy: -77.857453
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -220.243661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.243661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.243661 (E_RNA)
where:
Base-Base interactions energy: -149.641
where: short stacking energy: -59.473
Base-Backbone interact. energy: 0.723
local terms energy: -71.325462
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -102.783751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.783751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.783751 (E_RNA)
where:
Base-Base interactions energy: -44.898
where: short stacking energy: -44.898
Base-Backbone interact. energy: -0.101
local terms energy: -57.785333
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -6.380
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: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -94.837655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.837655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.837655 (E_RNA)
where:
Base-Base interactions energy: -36.955
where: short stacking energy: -26.185
Base-Backbone interact. energy: -0.304
local terms energy: -57.578529
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -94.407170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.407170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.407170 (E_RNA)
where:
Base-Base interactions energy: -45.197
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.479
local terms energy: -48.731582
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -94.771190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.771190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.771190 (E_RNA)
where:
Base-Base interactions energy: -42.856
where: short stacking energy: -31.536
Base-Backbone interact. energy: -0.375
local terms energy: -51.540206
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -264.478776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.478776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.478776 (E_RNA)
where:
Base-Base interactions energy: -188.104
where: short stacking energy: -66.646
Base-Backbone interact. energy: -0.600
local terms energy: -75.774861
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -248.466413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.466413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.466413 (E_RNA)
where:
Base-Base interactions energy: -176.343
where: short stacking energy: -65.676
Base-Backbone interact. energy: -0.345
local terms energy: -71.778606
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -13.086
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: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -257.633680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.633680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.633680 (E_RNA)
where:
Base-Base interactions energy: -186.737
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.328
local terms energy: -70.568915
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -224.238430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.238430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.238430 (E_RNA)
where:
Base-Base interactions energy: -141.182
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.971
local terms energy: -82.084810
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -226.135538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.135538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.135538 (E_RNA)
where:
Base-Base interactions energy: -152.873
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.332
local terms energy: -72.930459
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -215.433721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.433721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.433721 (E_RNA)
where:
Base-Base interactions energy: -143.226
where: short stacking energy: -51.783
Base-Backbone interact. energy: -0.386
local terms energy: -71.821713
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -100.010938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.010938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.010938 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -38.201
Base-Backbone interact. energy: -0.220
local terms energy: -59.329526
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -7.162
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: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -136.222637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.222637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.222637 (E_RNA)
where:
Base-Base interactions energy: -75.857
where: short stacking energy: -45.550
Base-Backbone interact. energy: 0.426
local terms energy: -60.791138
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -7.966
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: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -80.224813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.224813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.224813 (E_RNA)
where:
Base-Base interactions energy: -36.281
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.690
local terms energy: -43.253917
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -90.096033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.096033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.096033 (E_RNA)
where:
Base-Base interactions energy: -35.014
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.092
local terms energy: -54.990770
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -8.833
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: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -261.978422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.978422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.978422 (E_RNA)
where:
Base-Base interactions energy: -186.670
where: short stacking energy: -62.126
Base-Backbone interact. energy: -0.196
local terms energy: -75.111960
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -257.677397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.677397 (E_RNA)
where:
Base-Base interactions energy: -183.141
where: short stacking energy: -62.151
Base-Backbone interact. energy: -1.483
local terms energy: -73.053024
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -251.772180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.772180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.772180 (E_RNA)
where:
Base-Base interactions energy: -179.347
where: short stacking energy: -65.893
Base-Backbone interact. energy: -0.075
local terms energy: -72.350147
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -230.329456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.329456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.329456 (E_RNA)
where:
Base-Base interactions energy: -157.026
where: short stacking energy: -63.535
Base-Backbone interact. energy: -1.517
local terms energy: -71.786634
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -226.182433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.182433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.182433 (E_RNA)
where:
Base-Base interactions energy: -152.274
where: short stacking energy: -72.348
Base-Backbone interact. energy: -0.102
local terms energy: -73.806520
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -219.738429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.738429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.738429 (E_RNA)
where:
Base-Base interactions energy: -153.501
where: short stacking energy: -66.920
Base-Backbone interact. energy: -0.204
local terms energy: -66.032811
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -111.782212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.782212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.782212 (E_RNA)
where:
Base-Base interactions energy: -49.054
where: short stacking energy: -38.636
Base-Backbone interact. energy: -0.925
local terms energy: -61.803498
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -0.877
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: 286
Temperature: 1.250000
Total energy: -94.032258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.032258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.032258 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.168
local terms energy: -57.232038
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -5.638
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: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -89.269474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.269474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.269474 (E_RNA)
where:
Base-Base interactions energy: -36.587
where: short stacking energy: -28.632
Base-Backbone interact. energy: -0.135
local terms energy: -52.547662
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -83.603970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.603970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.603970 (E_RNA)
where:
Base-Base interactions energy: -27.724
where: short stacking energy: -27.715
Base-Backbone interact. energy: 1.410
local terms energy: -57.290170
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -263.566055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.566055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.566055 (E_RNA)
where:
Base-Base interactions energy: -185.312
where: short stacking energy: -68.853
Base-Backbone interact. energy: 2.068
local terms energy: -80.322428
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -15.330
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: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -250.587092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.587092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.587092 (E_RNA)
where:
Base-Base interactions energy: -178.234
where: short stacking energy: -67.930
Base-Backbone interact. energy: -1.147
local terms energy: -71.205766
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -13.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -249.108686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.108686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.108686 (E_RNA)
where:
Base-Base interactions energy: -172.570
where: short stacking energy: -55.438
Base-Backbone interact. energy: 0.744
local terms energy: -77.282903
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.128
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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -228.036930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.036930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.036930 (E_RNA)
where:
Base-Base interactions energy: -155.958
where: short stacking energy: -75.439
Base-Backbone interact. energy: -0.500
local terms energy: -71.579012
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -231.472094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.472094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.472094 (E_RNA)
where:
Base-Base interactions energy: -156.209
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.165
local terms energy: -75.098275
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -214.705000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.705000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.705000 (E_RNA)
where:
Base-Base interactions energy: -151.562
where: short stacking energy: -52.310
Base-Backbone interact. energy: -0.673
local terms energy: -62.470170
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -7.648
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: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -102.336965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.336965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.336965 (E_RNA)
where:
Base-Base interactions energy: -46.354
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.016
local terms energy: -55.967471
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -108.790545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.790545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.790545 (E_RNA)
where:
Base-Base interactions energy: -51.646
where: short stacking energy: -44.797
Base-Backbone interact. energy: 0.091
local terms energy: -57.235945
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -81.736766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.736766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.736766 (E_RNA)
where:
Base-Base interactions energy: -25.809
where: short stacking energy: -25.198
Base-Backbone interact. energy: -0.091
local terms energy: -55.837356
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -94.771593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.771593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.771593 (E_RNA)
where:
Base-Base interactions energy: -38.835
where: short stacking energy: -38.835
Base-Backbone interact. energy: -0.036
local terms energy: -55.899753
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -8.122
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -258.922937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.922937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.922937 (E_RNA)
where:
Base-Base interactions energy: -185.146
where: short stacking energy: -61.120
Base-Backbone interact. energy: -1.300
local terms energy: -72.476790
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -9.651
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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -251.469346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.469346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.469346 (E_RNA)
where:
Base-Base interactions energy: -175.247
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.052
local terms energy: -76.170734
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -240.021559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.021559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.021559 (E_RNA)
where:
Base-Base interactions energy: -159.484
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.880
local terms energy: -79.658094
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -22.832
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: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -243.243610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.243610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.243610 (E_RNA)
where:
Base-Base interactions energy: -174.780
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.073
local terms energy: -68.391109
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -215.882038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.882038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.882038 (E_RNA)
where:
Base-Base interactions energy: -141.172
where: short stacking energy: -48.813
Base-Backbone interact. energy: 0.665
local terms energy: -75.375980
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -214.194418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.194418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.194418 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -66.123
Base-Backbone interact. energy: -0.461
local terms energy: -64.337601
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -12.484
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: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -109.630782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.630782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.630782 (E_RNA)
where:
Base-Base interactions energy: -50.429
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.021
local terms energy: -59.180506
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -84.097107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.097107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.097107 (E_RNA)
where:
Base-Base interactions energy: -24.750
where: short stacking energy: -24.727
Base-Backbone interact. energy: -0.215
local terms energy: -59.132100
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -6.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -95.626363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626363 (E_RNA)
where:
Base-Base interactions energy: -48.716
where: short stacking energy: -36.429
Base-Backbone interact. energy: -0.092
local terms energy: -46.818374
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -0.277
tors. eta vs tors. theta energy: -2.063
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: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -86.522007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522007 (E_RNA)
where:
Base-Base interactions energy: -29.979
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.171
local terms energy: -56.372312
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -10.781
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: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -259.562880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.562880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.562880 (E_RNA)
where:
Base-Base interactions energy: -183.531
where: short stacking energy: -55.019
Base-Backbone interact. energy: -0.645
local terms energy: -75.386606
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -250.776748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.776748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.776748 (E_RNA)
where:
Base-Base interactions energy: -176.918
where: short stacking energy: -81.199
Base-Backbone interact. energy: 0.297
local terms energy: -74.156240
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -226.941491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.941491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.941491 (E_RNA)
where:
Base-Base interactions energy: -152.117
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.118
local terms energy: -74.705636
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -13.394
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: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -214.983459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.983459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.983459 (E_RNA)
where:
Base-Base interactions energy: -144.025
where: short stacking energy: -61.993
Base-Backbone interact. energy: -1.168
local terms energy: -69.790446
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -15.766
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: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -228.249659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.249659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.249659 (E_RNA)
where:
Base-Base interactions energy: -156.750
where: short stacking energy: -62.269
Base-Backbone interact. energy: 0.963
local terms energy: -72.462453
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -13.635
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: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -112.151560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.151560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.151560 (E_RNA)
where:
Base-Base interactions energy: -51.126
where: short stacking energy: -45.568
Base-Backbone interact. energy: -0.229
local terms energy: -60.796650
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -158.583551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.583551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.583551 (E_RNA)
where:
Base-Base interactions energy: -98.995
where: short stacking energy: -49.338
Base-Backbone interact. energy: 1.924
local terms energy: -61.512348
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -92.497145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.497145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.497145 (E_RNA)
where:
Base-Base interactions energy: -41.168
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.169
local terms energy: -51.160461
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -81.686641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686641 (E_RNA)
where:
Base-Base interactions energy: -25.200
where: short stacking energy: -25.500
Base-Backbone interact. energy: 1.152
local terms energy: -57.639076
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -90.108142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108142 (E_RNA)
where:
Base-Base interactions energy: -40.197
where: short stacking energy: -39.257
Base-Backbone interact. energy: -0.044
local terms energy: -49.866572
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -251.872858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.872858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.872858 (E_RNA)
where:
Base-Base interactions energy: -176.812
where: short stacking energy: -73.378
Base-Backbone interact. energy: -0.105
local terms energy: -74.955544
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -16.820
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: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -252.196189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.196189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.196189 (E_RNA)
where:
Base-Base interactions energy: -170.825
where: short stacking energy: -69.945
Base-Backbone interact. energy: -1.536
local terms energy: -79.835253
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -237.441041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.441041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.441041 (E_RNA)
where:
Base-Base interactions energy: -163.132
where: short stacking energy: -68.341
Base-Backbone interact. energy: -0.307
local terms energy: -74.001693
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -220.619707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.619707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.619707 (E_RNA)
where:
Base-Base interactions energy: -146.509
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.663
local terms energy: -73.447573
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -16.781
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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -218.530787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.530787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.530787 (E_RNA)
where:
Base-Base interactions energy: -144.341
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.231
local terms energy: -73.958070
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -106.442024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.442024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.442024 (E_RNA)
where:
Base-Base interactions energy: -58.021
where: short stacking energy: -44.213
Base-Backbone interact. energy: -0.090
local terms energy: -48.331612
where:
bonds (distance) C4'-P energy: -6.574
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -4.109
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -173.185924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.185924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.185924 (E_RNA)
where:
Base-Base interactions energy: -102.342
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.226
local terms energy: -70.617856
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -103.801837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.801837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.801837 (E_RNA)
where:
Base-Base interactions energy: -46.827
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.281
local terms energy: -56.693166
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -91.732673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.732673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.732673 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -30.205
Base-Backbone interact. energy: -0.556
local terms energy: -48.945849
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -78.921401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.921401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.921401 (E_RNA)
where:
Base-Base interactions energy: -16.930
where: short stacking energy: -16.930
Base-Backbone interact. energy: 0.098
local terms energy: -62.089357
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -13.912
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: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -255.306122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.306122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.306122 (E_RNA)
where:
Base-Base interactions energy: -179.720
where: short stacking energy: -76.145
Base-Backbone interact. energy: -0.539
local terms energy: -75.046416
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -244.566064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.566064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.566064 (E_RNA)
where:
Base-Base interactions energy: -164.900
where: short stacking energy: -74.471
Base-Backbone interact. energy: -0.776
local terms energy: -78.890383
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -241.095472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.095472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.095472 (E_RNA)
where:
Base-Base interactions energy: -170.293
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.305
local terms energy: -70.496981
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -12.932
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: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -222.561162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.561162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.561162 (E_RNA)
where:
Base-Base interactions energy: -149.566
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.407
local terms energy: -72.588326
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -16.146
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: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -210.617953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.617953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.617953 (E_RNA)
where:
Base-Base interactions energy: -141.464
where: short stacking energy: -54.522
Base-Backbone interact. energy: -0.234
local terms energy: -68.920011
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -8.417
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -177.113620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.113620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.113620 (E_RNA)
where:
Base-Base interactions energy: -120.635
where: short stacking energy: -54.826
Base-Backbone interact. energy: -0.478
local terms energy: -56.000946
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -106.322314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.322314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.322314 (E_RNA)
where:
Base-Base interactions energy: -48.687
where: short stacking energy: -47.606
Base-Backbone interact. energy: 1.442
local terms energy: -59.077426
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -6.100
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: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -86.733350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.733350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.733350 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.065
local terms energy: -51.861122
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: 0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -88.825047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.825047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.825047 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -35.395
Base-Backbone interact. energy: -0.269
local terms energy: -53.161640
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -80.992939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.992939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.992939 (E_RNA)
where:
Base-Base interactions energy: -31.312
where: short stacking energy: -16.180
Base-Backbone interact. energy: 0.652
local terms energy: -50.332542
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: 3.018
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: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -239.015390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.015390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.015390 (E_RNA)
where:
Base-Base interactions energy: -165.574
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.239
local terms energy: -73.201950
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -249.877439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.877439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.877439 (E_RNA)
where:
Base-Base interactions energy: -170.914
where: short stacking energy: -75.354
Base-Backbone interact. energy: -0.036
local terms energy: -78.927829
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -18.456
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: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -233.657338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.657338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.657338 (E_RNA)
where:
Base-Base interactions energy: -161.178
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.238
local terms energy: -72.241831
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -245.017415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.017415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.017415 (E_RNA)
where:
Base-Base interactions energy: -183.086
where: short stacking energy: -59.928
Base-Backbone interact. energy: -1.482
local terms energy: -60.449174
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -218.755273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.755273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.755273 (E_RNA)
where:
Base-Base interactions energy: -153.809
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.631
local terms energy: -64.314999
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -9.937
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: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -172.666883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.666883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.666883 (E_RNA)
where:
Base-Base interactions energy: -101.126
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.354
local terms energy: -71.187363
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -121.327020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.327020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.327020 (E_RNA)
where:
Base-Base interactions energy: -48.729
where: short stacking energy: -48.729
Base-Backbone interact. energy: -0.167
local terms energy: -72.431689
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -95.874816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.874816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.874816 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.177
local terms energy: -55.194982
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.539
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: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -111.276522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.276522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.276522 (E_RNA)
where:
Base-Base interactions energy: -54.808
where: short stacking energy: -24.340
Base-Backbone interact. energy: -0.324
local terms energy: -56.144573
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -82.053146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.053146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.053146 (E_RNA)
where:
Base-Base interactions energy: -37.170
where: short stacking energy: -18.758
Base-Backbone interact. energy: -0.161
local terms energy: -44.722308
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -9.369
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: 4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -245.614939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.614939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.614939 (E_RNA)
where:
Base-Base interactions energy: -165.696
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.217
local terms energy: -79.701961
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -249.053402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.053402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.053402 (E_RNA)
where:
Base-Base interactions energy: -167.108
where: short stacking energy: -70.120
Base-Backbone interact. energy: -0.327
local terms energy: -81.618528
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -241.550078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.550078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.550078 (E_RNA)
where:
Base-Base interactions energy: -160.427
where: short stacking energy: -63.543
Base-Backbone interact. energy: 0.861
local terms energy: -81.983845
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -234.782111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.782111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.782111 (E_RNA)
where:
Base-Base interactions energy: -170.453
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.285
local terms energy: -64.044658
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -222.741839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.741839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.741839 (E_RNA)
where:
Base-Base interactions energy: -148.624
where: short stacking energy: -69.538
Base-Backbone interact. energy: -1.253
local terms energy: -72.865385
where:
bonds (distance) C4'-P energy: -7.467
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -177.319876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.319876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.319876 (E_RNA)
where:
Base-Base interactions energy: -114.933
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.002
local terms energy: -62.384759
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -100.409331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.409331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.409331 (E_RNA)
where:
Base-Base interactions energy: -38.752
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.127
local terms energy: -61.530022
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -128.557816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.557816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.557816 (E_RNA)
where:
Base-Base interactions energy: -72.823
where: short stacking energy: -30.644
Base-Backbone interact. energy: 0.049
local terms energy: -55.783140
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -107.981526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.981526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.981526 (E_RNA)
where:
Base-Base interactions energy: -57.170
where: short stacking energy: -26.380
Base-Backbone interact. energy: -0.438
local terms energy: -50.373319
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -80.497548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.497548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.497548 (E_RNA)
where:
Base-Base interactions energy: -28.232
where: short stacking energy: -18.877
Base-Backbone interact. energy: -0.886
local terms energy: -51.379873
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -0.946
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: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -253.443052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.443052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.443052 (E_RNA)
where:
Base-Base interactions energy: -177.696
where: short stacking energy: -69.721
Base-Backbone interact. energy: -0.060
local terms energy: -75.687850
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -15.901
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: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -244.483654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.483654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.483654 (E_RNA)
where:
Base-Base interactions energy: -178.648
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.186
local terms energy: -65.649653
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.792
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: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -239.494063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.494063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.494063 (E_RNA)
where:
Base-Base interactions energy: -166.861
where: short stacking energy: -57.022
Base-Backbone interact. energy: -1.093
local terms energy: -71.539771
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -231.594500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.594500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.594500 (E_RNA)
where:
Base-Base interactions energy: -153.674
where: short stacking energy: -68.190
Base-Backbone interact. energy: -0.765
local terms energy: -77.155714
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -226.718117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.718117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.718117 (E_RNA)
where:
Base-Base interactions energy: -149.428
where: short stacking energy: -60.854
Base-Backbone interact. energy: -0.383
local terms energy: -76.906503
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.186
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: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -165.123576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.123576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.123576 (E_RNA)
where:
Base-Base interactions energy: -99.938
where: short stacking energy: -52.134
Base-Backbone interact. energy: -0.083
local terms energy: -65.103347
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -119.153575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.153575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.153575 (E_RNA)
where:
Base-Base interactions energy: -56.870
where: short stacking energy: -29.989
Base-Backbone interact. energy: 1.767
local terms energy: -64.050425
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -96.469396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.469396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.469396 (E_RNA)
where:
Base-Base interactions energy: -40.277
where: short stacking energy: -36.517
Base-Backbone interact. energy: 0.148
local terms energy: -56.340423
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -99.489955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.489955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.489955 (E_RNA)
where:
Base-Base interactions energy: -42.890
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.709
local terms energy: -55.891301
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -94.312826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.312826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.312826 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -39.230
Base-Backbone interact. energy: -0.124
local terms energy: -53.413864
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -6.612
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -239.941462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.941462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.941462 (E_RNA)
where:
Base-Base interactions energy: -159.932
where: short stacking energy: -69.255
Base-Backbone interact. energy: -0.402
local terms energy: -79.607723
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -10.627
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: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -237.033502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.033502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.033502 (E_RNA)
where:
Base-Base interactions energy: -164.490
where: short stacking energy: -55.756
Base-Backbone interact. energy: -0.324
local terms energy: -72.218923
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -12.105
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: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -245.628874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.628874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.628874 (E_RNA)
where:
Base-Base interactions energy: -167.485
where: short stacking energy: -72.215
Base-Backbone interact. energy: 2.748
local terms energy: -80.891902
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -18.131
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: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -218.038121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.038121 (E_RNA)
where:
Base-Base interactions energy: -147.644
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.818
local terms energy: -69.577035
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -212.005276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.005276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.005276 (E_RNA)
where:
Base-Base interactions energy: -141.231
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.426
local terms energy: -70.348920
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -191.457063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.457063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.457063 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.075
local terms energy: -71.459831
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -105.820337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.820337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.820337 (E_RNA)
where:
Base-Base interactions energy: -47.258
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.989
local terms energy: -57.572492
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -13.443
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -104.302107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.302107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.302107 (E_RNA)
where:
Base-Base interactions energy: -51.711
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.005
local terms energy: -52.586675
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -85.974053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974053 (E_RNA)
where:
Base-Base interactions energy: -24.855
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.115
local terms energy: -61.003532
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -87.247470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.247470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.247470 (E_RNA)
where:
Base-Base interactions energy: -28.377
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.129
local terms energy: -58.741189
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -10.290
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: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -261.016311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.016311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.016311 (E_RNA)
where:
Base-Base interactions energy: -189.462
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.255
local terms energy: -71.299240
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -237.924149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.924149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.924149 (E_RNA)
where:
Base-Base interactions energy: -159.606
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.105
local terms energy: -78.212995
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -10.940
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: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -230.212971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.212971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.212971 (E_RNA)
where:
Base-Base interactions energy: -159.570
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.717
local terms energy: -69.925897
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -236.810371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.810371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.810371 (E_RNA)
where:
Base-Base interactions energy: -167.907
where: short stacking energy: -67.592
Base-Backbone interact. energy: -0.052
local terms energy: -68.850605
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -209.854413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.854413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.854413 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.113
local terms energy: -67.294741
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -3.930
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -181.406714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.406714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.406714 (E_RNA)
where:
Base-Base interactions energy: -111.644
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.023
local terms energy: -69.740241
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.879
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: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -101.892754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.892754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.892754 (E_RNA)
where:
Base-Base interactions energy: -52.455
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.263
local terms energy: -49.174008
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -2.976
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -107.999630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.999630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.999630 (E_RNA)
where:
Base-Base interactions energy: -46.876
where: short stacking energy: -43.728
Base-Backbone interact. energy: -0.255
local terms energy: -60.868409
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -88.485965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485965 (E_RNA)
where:
Base-Base interactions energy: -32.313
where: short stacking energy: -26.297
Base-Backbone interact. energy: 1.532
local terms energy: -57.704596
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -80.008113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.008113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.008113 (E_RNA)
where:
Base-Base interactions energy: -32.077
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.259
local terms energy: -47.671913
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -7.390
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -259.994729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.994729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.994729 (E_RNA)
where:
Base-Base interactions energy: -181.038
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.908
local terms energy: -78.049240
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -12.227
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: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -238.314130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.314130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.314130 (E_RNA)
where:
Base-Base interactions energy: -159.185
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.487
local terms energy: -78.641811
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -237.390279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.390279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.390279 (E_RNA)
where:
Base-Base interactions energy: -159.964
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.117
local terms energy: -77.309727
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -226.961984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.961984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.961984 (E_RNA)
where:
Base-Base interactions energy: -161.522
where: short stacking energy: -70.782
Base-Backbone interact. energy: 0.448
local terms energy: -65.888898
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -216.902481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.902481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.902481 (E_RNA)
where:
Base-Base interactions energy: -147.790
where: short stacking energy: -58.112
Base-Backbone interact. energy: -0.230
local terms energy: -68.882649
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -167.504288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.504288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.504288 (E_RNA)
where:
Base-Base interactions energy: -104.259
where: short stacking energy: -55.638
Base-Backbone interact. energy: 1.075
local terms energy: -64.319641
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -12.178
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: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -89.423990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.423990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.423990 (E_RNA)
where:
Base-Base interactions energy: -37.946
where: short stacking energy: -22.248
Base-Backbone interact. energy: 0.162
local terms energy: -51.639851
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: 2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -109.133611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.133611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.133611 (E_RNA)
where:
Base-Base interactions energy: -45.138
where: short stacking energy: -35.067
Base-Backbone interact. energy: -0.138
local terms energy: -63.857440
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -13.541
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: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -93.733812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.733812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.733812 (E_RNA)
where:
Base-Base interactions energy: -37.340
where: short stacking energy: -37.340
Base-Backbone interact. energy: -0.397
local terms energy: -55.996654
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -87.883269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.883269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.883269 (E_RNA)
where:
Base-Base interactions energy: -25.348
where: short stacking energy: -26.448
Base-Backbone interact. energy: -0.091
local terms energy: -62.443807
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -3.282
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: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -258.484334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.484334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.484334 (E_RNA)
where:
Base-Base interactions energy: -184.697
where: short stacking energy: -76.535
Base-Backbone interact. energy: -0.926
local terms energy: -72.860754
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -234.015368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.015368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.015368 (E_RNA)
where:
Base-Base interactions energy: -155.264
where: short stacking energy: -64.438
Base-Backbone interact. energy: 0.380
local terms energy: -79.131456
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -244.974944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.974944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.974944 (E_RNA)
where:
Base-Base interactions energy: -173.411
where: short stacking energy: -73.285
Base-Backbone interact. energy: -0.367
local terms energy: -71.196746
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -228.462257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.462257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.462257 (E_RNA)
where:
Base-Base interactions energy: -149.804
where: short stacking energy: -66.016
Base-Backbone interact. energy: -0.402
local terms energy: -78.256541
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -230.467486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.467486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.467486 (E_RNA)
where:
Base-Base interactions energy: -159.931
where: short stacking energy: -71.047
Base-Backbone interact. energy: 0.044
local terms energy: -70.581202
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -19.791
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -177.634276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.634276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.634276 (E_RNA)
where:
Base-Base interactions energy: -109.907
where: short stacking energy: -47.925
Base-Backbone interact. energy: -1.052
local terms energy: -66.675174
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -5.861
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: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -106.487175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.487175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.487175 (E_RNA)
where:
Base-Base interactions energy: -48.645
where: short stacking energy: -32.226
Base-Backbone interact. energy: 0.123
local terms energy: -57.965938
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -12.253
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: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -90.981274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.981274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.981274 (E_RNA)
where:
Base-Base interactions energy: -35.720
where: short stacking energy: -20.568
Base-Backbone interact. energy: -0.109
local terms energy: -55.152115
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -82.687434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.687434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.687434 (E_RNA)
where:
Base-Base interactions energy: -25.900
where: short stacking energy: -25.988
Base-Backbone interact. energy: -0.098
local terms energy: -56.689223
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -6.291
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: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -90.517759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517759 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -31.505
Base-Backbone interact. energy: -0.178
local terms energy: -58.834353
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -246.825268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.825268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.825268 (E_RNA)
where:
Base-Base interactions energy: -180.781
where: short stacking energy: -64.994
Base-Backbone interact. energy: -1.349
local terms energy: -64.695608
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -237.236927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.236927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.236927 (E_RNA)
where:
Base-Base interactions energy: -164.458
where: short stacking energy: -73.808
Base-Backbone interact. energy: 0.048
local terms energy: -72.826836
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -234.811493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.811493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.811493 (E_RNA)
where:
Base-Base interactions energy: -153.545
where: short stacking energy: -65.533
Base-Backbone interact. energy: -0.287
local terms energy: -80.979369
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -228.573382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.573382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.573382 (E_RNA)
where:
Base-Base interactions energy: -150.042
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.098
local terms energy: -78.433498
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -214.905348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.905348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.905348 (E_RNA)
where:
Base-Base interactions energy: -149.871
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.369
local terms energy: -64.665314
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -163.164171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.164171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.164171 (E_RNA)
where:
Base-Base interactions energy: -93.486
where: short stacking energy: -46.487
Base-Backbone interact. energy: -0.157
local terms energy: -69.520814
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -157.849737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.849737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.849737 (E_RNA)
where:
Base-Base interactions energy: -105.367
where: short stacking energy: -48.190
Base-Backbone interact. energy: 1.922
local terms energy: -54.403836
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -111.740562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.740562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.740562 (E_RNA)
where:
Base-Base interactions energy: -58.664
where: short stacking energy: -40.752
Base-Backbone interact. energy: 0.226
local terms energy: -53.302556
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -84.240170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240170 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -34.717
Base-Backbone interact. energy: -0.387
local terms energy: -49.135950
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -82.569205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.569205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.569205 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -27.648
Base-Backbone interact. energy: 1.085
local terms energy: -50.930510
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -6.724
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -259.039380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.039380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.039380 (E_RNA)
where:
Base-Base interactions energy: -175.498
where: short stacking energy: -83.471
Base-Backbone interact. energy: -0.782
local terms energy: -82.760172
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -251.765237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.765237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.765237 (E_RNA)
where:
Base-Base interactions energy: -166.408
where: short stacking energy: -71.538
Base-Backbone interact. energy: -0.166
local terms energy: -85.191586
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -237.531692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.531692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.531692 (E_RNA)
where:
Base-Base interactions energy: -158.504
where: short stacking energy: -72.159
Base-Backbone interact. energy: -0.145
local terms energy: -78.883022
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -235.120045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.120045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.120045 (E_RNA)
where:
Base-Base interactions energy: -159.297
where: short stacking energy: -64.925
Base-Backbone interact. energy: -0.290
local terms energy: -75.533532
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -224.110075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.110075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.110075 (E_RNA)
where:
Base-Base interactions energy: -148.175
where: short stacking energy: -61.774
Base-Backbone interact. energy: -0.283
local terms energy: -75.651654
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -162.925473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.925473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.925473 (E_RNA)
where:
Base-Base interactions energy: -92.376
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.018
local terms energy: -70.532383
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -96.862551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.862551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.862551 (E_RNA)
where:
Base-Base interactions energy: -39.836
where: short stacking energy: -16.500
Base-Backbone interact. energy: -1.273
local terms energy: -55.753660
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: 1.429
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: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -141.787845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.787845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.787845 (E_RNA)
where:
Base-Base interactions energy: -74.764
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.337
local terms energy: -66.686657
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -8.509
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: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -91.808063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.808063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.808063 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.146
local terms energy: -57.203789
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -82.541028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.541028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.541028 (E_RNA)
where:
Base-Base interactions energy: -33.454
where: short stacking energy: -32.691
Base-Backbone interact. energy: -0.676
local terms energy: -48.410845
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -9.558
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: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -250.523211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.523211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.523211 (E_RNA)
where:
Base-Base interactions energy: -167.782
where: short stacking energy: -74.758
Base-Backbone interact. energy: -1.800
local terms energy: -80.940714
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -245.516335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.516335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.516335 (E_RNA)
where:
Base-Base interactions energy: -168.524
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.185
local terms energy: -76.807367
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -15.712
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: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -236.227420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.227420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.227420 (E_RNA)
where:
Base-Base interactions energy: -161.310
where: short stacking energy: -71.564
Base-Backbone interact. energy: -0.315
local terms energy: -74.602099
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -10.003
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: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -230.828914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.828914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.828914 (E_RNA)
where:
Base-Base interactions energy: -160.883
where: short stacking energy: -67.438
Base-Backbone interact. energy: -1.013
local terms energy: -68.933264
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -209.881357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.881357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.881357 (E_RNA)
where:
Base-Base interactions energy: -143.091
where: short stacking energy: -52.234
Base-Backbone interact. energy: 0.185
local terms energy: -66.975983
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -10.750
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: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -162.419202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.419202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.419202 (E_RNA)
where:
Base-Base interactions energy: -107.787
where: short stacking energy: -41.176
Base-Backbone interact. energy: -0.777
local terms energy: -53.855777
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -141.487189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.487189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.487189 (E_RNA)
where:
Base-Base interactions energy: -81.923
where: short stacking energy: -41.479
Base-Backbone interact. energy: -0.170
local terms energy: -59.394745
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -94.571264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.571264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.571264 (E_RNA)
where:
Base-Base interactions energy: -36.588
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.415
local terms energy: -57.568209
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -140.463518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.463518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.463518 (E_RNA)
where:
Base-Base interactions energy: -86.557
where: short stacking energy: -45.329
Base-Backbone interact. energy: -0.712
local terms energy: -53.194693
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -82.498372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.498372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.498372 (E_RNA)
where:
Base-Base interactions energy: -22.777
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.158
local terms energy: -59.563254
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -247.404461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.404461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.404461 (E_RNA)
where:
Base-Base interactions energy: -170.233
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.201
local terms energy: -76.971016
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -12.472
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: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -243.134987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.134987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.134987 (E_RNA)
where:
Base-Base interactions energy: -166.338
where: short stacking energy: -70.780
Base-Backbone interact. energy: -0.438
local terms energy: -76.358649
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -12.437
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: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -244.638340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.638340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.638340 (E_RNA)
where:
Base-Base interactions energy: -172.852
where: short stacking energy: -74.197
Base-Backbone interact. energy: -0.157
local terms energy: -71.629724
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -237.700989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.700989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.700989 (E_RNA)
where:
Base-Base interactions energy: -149.343
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.955
local terms energy: -87.402580
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -211.944165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.944165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.944165 (E_RNA)
where:
Base-Base interactions energy: -141.787
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.270
local terms energy: -69.886852
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -171.378064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.378064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.378064 (E_RNA)
where:
Base-Base interactions energy: -109.874
where: short stacking energy: -51.930
Base-Backbone interact. energy: -0.186
local terms energy: -61.317823
where:
bonds (distance) C4'-P energy: -7.572
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -92.588183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.588183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.588183 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -33.143
Base-Backbone interact. energy: -0.084
local terms energy: -59.361193
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -86.865669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.865669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.865669 (E_RNA)
where:
Base-Base interactions energy: -30.917
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.331
local terms energy: -55.618431
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -5.420
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: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -92.607943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.607943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.607943 (E_RNA)
where:
Base-Base interactions energy: -43.166
where: short stacking energy: -35.541
Base-Backbone interact. energy: -0.145
local terms energy: -49.297025
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -80.728866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.728866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.728866 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -18.469
Base-Backbone interact. energy: -1.279
local terms energy: -45.676209
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -243.473195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.473195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.473195 (E_RNA)
where:
Base-Base interactions energy: -166.124
where: short stacking energy: -75.219
Base-Backbone interact. energy: -0.191
local terms energy: -77.158288
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -251.177969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.177969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.177969 (E_RNA)
where:
Base-Base interactions energy: -179.627
where: short stacking energy: -79.389
Base-Backbone interact. energy: 0.690
local terms energy: -72.241207
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -15.063
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: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -245.863702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.863702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.863702 (E_RNA)
where:
Base-Base interactions energy: -166.816
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.426
local terms energy: -78.621006
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -18.879
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: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -235.236768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.236768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.236768 (E_RNA)
where:
Base-Base interactions energy: -171.922
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.110
local terms energy: -63.205316
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -212.591030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.591030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.591030 (E_RNA)
where:
Base-Base interactions energy: -144.509
where: short stacking energy: -53.676
Base-Backbone interact. energy: -0.381
local terms energy: -67.700479
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -177.744850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.744850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.744850 (E_RNA)
where:
Base-Base interactions energy: -103.929
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.714
local terms energy: -73.101960
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -100.439025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.439025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.439025 (E_RNA)
where:
Base-Base interactions energy: -42.308
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.014
local terms energy: -58.117290
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -112.724891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.724891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.724891 (E_RNA)
where:
Base-Base interactions energy: -50.124
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.248
local terms energy: -62.352550
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -93.773534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.773534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.773534 (E_RNA)
where:
Base-Base interactions energy: -31.911
where: short stacking energy: -28.925
Base-Backbone interact. energy: 1.223
local terms energy: -63.085239
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -89.809588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809588 (E_RNA)
where:
Base-Base interactions energy: -35.366
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.050
local terms energy: -54.394140
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -246.778914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.778914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.778914 (E_RNA)
where:
Base-Base interactions energy: -168.396
where: short stacking energy: -76.794
Base-Backbone interact. energy: -0.608
local terms energy: -77.774953
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -16.662
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: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -238.628907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.628907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.628907 (E_RNA)
where:
Base-Base interactions energy: -161.436
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.567
local terms energy: -76.625419
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -244.518224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.518224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.518224 (E_RNA)
where:
Base-Base interactions energy: -170.112
where: short stacking energy: -71.917
Base-Backbone interact. energy: -0.135
local terms energy: -74.270843
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -241.347493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.347493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.347493 (E_RNA)
where:
Base-Base interactions energy: -156.932
where: short stacking energy: -70.389
Base-Backbone interact. energy: -1.546
local terms energy: -82.869234
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -161.940009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.940009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.940009 (E_RNA)
where:
Base-Base interactions energy: -93.204
where: short stacking energy: -47.408
Base-Backbone interact. energy: -1.784
local terms energy: -66.951399
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -222.175361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.175361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.175361 (E_RNA)
where:
Base-Base interactions energy: -140.687
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.130
local terms energy: -81.358657
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -95.291942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.291942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.291942 (E_RNA)
where:
Base-Base interactions energy: -37.966
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.489
local terms energy: -56.836835
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -89.706670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.706670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.706670 (E_RNA)
where:
Base-Base interactions energy: -38.067
where: short stacking energy: -31.836
Base-Backbone interact. energy: -0.257
local terms energy: -51.382651
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -95.621087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.621087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.621087 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -29.185
Base-Backbone interact. energy: -1.033
local terms energy: -47.926312
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -95.700474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.700474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.700474 (E_RNA)
where:
Base-Base interactions energy: -40.756
where: short stacking energy: -37.580
Base-Backbone interact. energy: -0.114
local terms energy: -54.830755
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -254.749219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.749219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.749219 (E_RNA)
where:
Base-Base interactions energy: -176.088
where: short stacking energy: -75.545
Base-Backbone interact. energy: -0.193
local terms energy: -78.468491
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -241.958590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.958590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.958590 (E_RNA)
where:
Base-Base interactions energy: -162.260
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.172
local terms energy: -79.525944
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -12.543
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: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -236.801249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.801249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.801249 (E_RNA)
where:
Base-Base interactions energy: -163.945
where: short stacking energy: -69.293
Base-Backbone interact. energy: -0.959
local terms energy: -71.897848
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -5.997
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: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -233.045873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.045873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.045873 (E_RNA)
where:
Base-Base interactions energy: -155.726
where: short stacking energy: -76.700
Base-Backbone interact. energy: -0.525
local terms energy: -76.794747
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -165.100991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.100991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.100991 (E_RNA)
where:
Base-Base interactions energy: -99.930
where: short stacking energy: -54.487
Base-Backbone interact. energy: -0.123
local terms energy: -65.048093
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -6.230
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: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -223.161848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.161848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.161848 (E_RNA)
where:
Base-Base interactions energy: -150.897
where: short stacking energy: -65.503
Base-Backbone interact. energy: -0.368
local terms energy: -71.896323
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -106.259690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.259690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.259690 (E_RNA)
where:
Base-Base interactions energy: -49.193
where: short stacking energy: -41.165
Base-Backbone interact. energy: -0.326
local terms energy: -56.740178
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -103.731860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.731860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.731860 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -38.343
Base-Backbone interact. energy: -0.139
local terms energy: -56.147973
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.833
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: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -94.964517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.964517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.964517 (E_RNA)
where:
Base-Base interactions energy: -39.494
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.370
local terms energy: -55.100761
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -8.689
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: 305
Temperature: 1.350000
Total energy: -86.025514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.025514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.025514 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -24.325
Base-Backbone interact. energy: -0.213
local terms energy: -45.929358
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -249.298172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.298172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.298172 (E_RNA)
where:
Base-Base interactions energy: -169.471
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.188
local terms energy: -79.639418
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -225.348260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.348260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.348260 (E_RNA)
where:
Base-Base interactions energy: -141.611
where: short stacking energy: -58.478
Base-Backbone interact. energy: -1.104
local terms energy: -82.632549
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -237.189504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.189504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.189504 (E_RNA)
where:
Base-Base interactions energy: -168.301
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.209
local terms energy: -68.679936
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -16.149
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: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -231.065571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.065571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.065571 (E_RNA)
where:
Base-Base interactions energy: -152.127
where: short stacking energy: -58.976
Base-Backbone interact. energy: -0.170
local terms energy: -78.768820
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -18.079
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -231.117899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.117899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.117899 (E_RNA)
where:
Base-Base interactions energy: -152.239
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.234
local terms energy: -78.645131
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -154.893834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.893834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.893834 (E_RNA)
where:
Base-Base interactions energy: -83.704
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.110
local terms energy: -71.079994
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -98.662473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.662473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.662473 (E_RNA)
where:
Base-Base interactions energy: -49.138
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.133
local terms energy: -49.391203
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -6.344
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: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -79.679296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.679296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.679296 (E_RNA)
where:
Base-Base interactions energy: -28.495
where: short stacking energy: -26.643
Base-Backbone interact. energy: -0.303
local terms energy: -50.880469
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -90.993942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.993942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.993942 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -30.014
Base-Backbone interact. energy: 2.569
local terms energy: -57.077626
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -93.814176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.814176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.814176 (E_RNA)
where:
Base-Base interactions energy: -43.179
where: short stacking energy: -18.754
Base-Backbone interact. energy: 0.197
local terms energy: -50.832029
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -251.324217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.324217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.324217 (E_RNA)
where:
Base-Base interactions energy: -172.583
where: short stacking energy: -72.950
Base-Backbone interact. energy: -0.035
local terms energy: -78.706051
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -253.490668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.490668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.490668 (E_RNA)
where:
Base-Base interactions energy: -173.399
where: short stacking energy: -67.037
Base-Backbone interact. energy: 0.583
local terms energy: -80.675447
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -245.337921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.337921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.337921 (E_RNA)
where:
Base-Base interactions energy: -165.849
where: short stacking energy: -73.428
Base-Backbone interact. energy: -0.569
local terms energy: -78.919813
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -234.045406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.045406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.045406 (E_RNA)
where:
Base-Base interactions energy: -161.566
where: short stacking energy: -73.023
Base-Backbone interact. energy: -0.129
local terms energy: -72.350531
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -12.514
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: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -226.378677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.378677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.378677 (E_RNA)
where:
Base-Base interactions energy: -155.595
where: short stacking energy: -73.560
Base-Backbone interact. energy: 1.438
local terms energy: -72.222217
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -174.100722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.100722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.100722 (E_RNA)
where:
Base-Base interactions energy: -101.786
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.178
local terms energy: -72.137492
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -12.635
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: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -126.013854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.013854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.013854 (E_RNA)
where:
Base-Base interactions energy: -71.751
where: short stacking energy: -50.558
Base-Backbone interact. energy: -0.061
local terms energy: -54.201846
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -95.865179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.865179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.865179 (E_RNA)
where:
Base-Base interactions energy: -38.084
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.241
local terms energy: -57.540335
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -96.023246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.023246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.023246 (E_RNA)
where:
Base-Base interactions energy: -35.410
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.245
local terms energy: -60.368158
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -12.184
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: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -84.080687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.080687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.080687 (E_RNA)
where:
Base-Base interactions energy: -32.628
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.030
local terms energy: -51.422766
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -241.508528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.508528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.508528 (E_RNA)
where:
Base-Base interactions energy: -166.690
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.462
local terms energy: -74.357218
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -249.182517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.182517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.182517 (E_RNA)
where:
Base-Base interactions energy: -168.082
where: short stacking energy: -69.336
Base-Backbone interact. energy: -0.437
local terms energy: -80.662917
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -235.198209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.198209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.198209 (E_RNA)
where:
Base-Base interactions energy: -156.896
where: short stacking energy: -72.848
Base-Backbone interact. energy: -0.145
local terms energy: -78.156927
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -18.842
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: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -233.342721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.342721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.342721 (E_RNA)
where:
Base-Base interactions energy: -150.540
where: short stacking energy: -73.223
Base-Backbone interact. energy: -0.791
local terms energy: -82.011520
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -231.385098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.385098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.385098 (E_RNA)
where:
Base-Base interactions energy: -163.210
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.861
local terms energy: -67.314316
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -163.637975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.637975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.637975 (E_RNA)
where:
Base-Base interactions energy: -103.538
where: short stacking energy: -42.946
Base-Backbone interact. energy: 0.791
local terms energy: -60.891195
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -6.119
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: 308
Temperature: 1.200000
Total energy: -108.963308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.963308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.963308 (E_RNA)
where:
Base-Base interactions energy: -56.917
where: short stacking energy: -45.676
Base-Backbone interact. energy: -0.012
local terms energy: -52.034062
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -8.640
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: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -118.580685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.580685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.580685 (E_RNA)
where:
Base-Base interactions energy: -57.204
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.021
local terms energy: -61.356231
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -7.564
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: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -97.176933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.176933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.176933 (E_RNA)
where:
Base-Base interactions energy: -42.442
where: short stacking energy: -32.358
Base-Backbone interact. energy: -0.281
local terms energy: -54.453924
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -72.516664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.516664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.516664 (E_RNA)
where:
Base-Base interactions energy: -22.956
where: short stacking energy: -22.222
Base-Backbone interact. energy: -0.663
local terms energy: -48.897432
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -248.786770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.786770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.786770 (E_RNA)
where:
Base-Base interactions energy: -175.307
where: short stacking energy: -61.945
Base-Backbone interact. energy: -0.328
local terms energy: -73.151748
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -234.842447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.842447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.842447 (E_RNA)
where:
Base-Base interactions energy: -158.529
where: short stacking energy: -68.582
Base-Backbone interact. energy: -0.084
local terms energy: -76.229653
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -241.279913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.279913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.279913 (E_RNA)
where:
Base-Base interactions energy: -158.083
where: short stacking energy: -64.233
Base-Backbone interact. energy: -1.984
local terms energy: -81.213323
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -20.865
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: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -227.454748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.454748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.454748 (E_RNA)
where:
Base-Base interactions energy: -149.842
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.051
local terms energy: -77.561448
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -229.764549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.764549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.764549 (E_RNA)
where:
Base-Base interactions energy: -152.225
where: short stacking energy: -67.270
Base-Backbone interact. energy: -1.012
local terms energy: -76.527818
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -116.025993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.025993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.025993 (E_RNA)
where:
Base-Base interactions energy: -51.721
where: short stacking energy: -40.823
Base-Backbone interact. energy: -0.104
local terms energy: -64.201129
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -7.062
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -188.434233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.434233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.434233 (E_RNA)
where:
Base-Base interactions energy: -116.671
where: short stacking energy: -61.464
Base-Backbone interact. energy: -0.039
local terms energy: -71.724218
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -106.554543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.554543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.554543 (E_RNA)
where:
Base-Base interactions energy: -54.278
where: short stacking energy: -40.823
Base-Backbone interact. energy: -0.150
local terms energy: -52.126405
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -85.182555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.182555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.182555 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.293
local terms energy: -48.657773
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -77.202245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.202245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.202245 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -22.658
Base-Backbone interact. energy: -0.011
local terms energy: -50.847727
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -2.251
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: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -244.032765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.032765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.032765 (E_RNA)
where:
Base-Base interactions energy: -170.133
where: short stacking energy: -63.901
Base-Backbone interact. energy: 1.306
local terms energy: -75.205572
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -243.031892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.031892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.031892 (E_RNA)
where:
Base-Base interactions energy: -164.944
where: short stacking energy: -78.924
Base-Backbone interact. energy: -0.096
local terms energy: -77.991845
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -9.901
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: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -232.179819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.179819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.179819 (E_RNA)
where:
Base-Base interactions energy: -159.709
where: short stacking energy: -74.588
Base-Backbone interact. energy: -0.072
local terms energy: -72.398559
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -225.422193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.422193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.422193 (E_RNA)
where:
Base-Base interactions energy: -149.095
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.527
local terms energy: -75.799631
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -230.812964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.812964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.812964 (E_RNA)
where:
Base-Base interactions energy: -151.462
where: short stacking energy: -72.031
Base-Backbone interact. energy: -0.176
local terms energy: -79.174328
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -116.861242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.861242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.861242 (E_RNA)
where:
Base-Base interactions energy: -47.414
where: short stacking energy: -43.865
Base-Backbone interact. energy: -0.850
local terms energy: -68.598120
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -168.200743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.200743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.200743 (E_RNA)
where:
Base-Base interactions energy: -102.923
where: short stacking energy: -48.374
Base-Backbone interact. energy: -0.736
local terms energy: -64.542174
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -14.291
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: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -96.186857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.186857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.186857 (E_RNA)
where:
Base-Base interactions energy: -44.446
where: short stacking energy: -44.404
Base-Backbone interact. energy: -0.098
local terms energy: -51.643787
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -7.611
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: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -87.475111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.475111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.475111 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.783
local terms energy: -54.074157
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -103.230737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.230737 (E_RNA)
where:
Base-Base interactions energy: -48.280
where: short stacking energy: -26.785
Base-Backbone interact. energy: 0.491
local terms energy: -55.441579
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -244.177114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.177114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.177114 (E_RNA)
where:
Base-Base interactions energy: -171.877
where: short stacking energy: -79.917
Base-Backbone interact. energy: -0.257
local terms energy: -72.042578
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -17.609
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: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -238.821899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.821899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.821899 (E_RNA)
where:
Base-Base interactions energy: -151.609
where: short stacking energy: -69.220
Base-Backbone interact. energy: -1.195
local terms energy: -86.018552
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -233.550947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.550947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.550947 (E_RNA)
where:
Base-Base interactions energy: -161.984
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.171
local terms energy: -71.395706
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -18.220
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: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -222.041825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.041825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.041825 (E_RNA)
where:
Base-Base interactions energy: -144.728
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.203
local terms energy: -77.110923
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -9.142
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: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -225.244615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.244615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.244615 (E_RNA)
where:
Base-Base interactions energy: -151.662
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.324
local terms energy: -73.259083
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -151.357802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.357802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.357802 (E_RNA)
where:
Base-Base interactions energy: -95.897
where: short stacking energy: -40.528
Base-Backbone interact. energy: -0.694
local terms energy: -54.766453
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -8.009
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: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -111.411637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.411637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.411637 (E_RNA)
where:
Base-Base interactions energy: -54.064
where: short stacking energy: -30.408
Base-Backbone interact. energy: -0.061
local terms energy: -57.287169
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -11.558
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: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -98.176204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.176204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.176204 (E_RNA)
where:
Base-Base interactions energy: -39.604
where: short stacking energy: -39.604
Base-Backbone interact. energy: -0.219
local terms energy: -58.352704
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -79.240510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.240510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.240510 (E_RNA)
where:
Base-Base interactions energy: -21.836
where: short stacking energy: -21.169
Base-Backbone interact. energy: -0.468
local terms energy: -56.936176
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: 2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -86.792818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.792818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.792818 (E_RNA)
where:
Base-Base interactions energy: -37.662
where: short stacking energy: -32.198
Base-Backbone interact. energy: -1.385
local terms energy: -47.746637
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -240.004698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.004698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.004698 (E_RNA)
where:
Base-Base interactions energy: -172.901
where: short stacking energy: -73.373
Base-Backbone interact. energy: -0.243
local terms energy: -66.860324
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -236.289949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.289949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.289949 (E_RNA)
where:
Base-Base interactions energy: -157.005
where: short stacking energy: -69.522
Base-Backbone interact. energy: -1.186
local terms energy: -78.098931
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -230.635139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.635139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.635139 (E_RNA)
where:
Base-Base interactions energy: -157.727
where: short stacking energy: -70.815
Base-Backbone interact. energy: -0.323
local terms energy: -72.584805
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -225.053778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.053778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.053778 (E_RNA)
where:
Base-Base interactions energy: -163.472
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.768
local terms energy: -60.813799
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -10.268
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: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -233.222191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.222191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.222191 (E_RNA)
where:
Base-Base interactions energy: -161.108
where: short stacking energy: -67.990
Base-Backbone interact. energy: 1.258
local terms energy: -73.371840
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -8.532
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: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -171.549849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.549849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.549849 (E_RNA)
where:
Base-Base interactions energy: -107.715
where: short stacking energy: -66.742
Base-Backbone interact. energy: 1.247
local terms energy: -65.081605
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -95.712880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.712880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.712880 (E_RNA)
where:
Base-Base interactions energy: -30.221
where: short stacking energy: -30.221
Base-Backbone interact. energy: -1.883
local terms energy: -63.608739
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -10.350
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: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -89.248064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.248064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.248064 (E_RNA)
where:
Base-Base interactions energy: -28.877
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.351
local terms energy: -60.019904
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -96.146949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.146949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.146949 (E_RNA)
where:
Base-Base interactions energy: -38.601
where: short stacking energy: -32.853
Base-Backbone interact. energy: 0.090
local terms energy: -57.635676
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -80.991817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.991817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.991817 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.113
local terms energy: -49.612921
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -1.902
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: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -249.210840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.210840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.210840 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -73.830
Base-Backbone interact. energy: -0.166
local terms energy: -76.854574
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.648
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: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -235.474230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.474230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.474230 (E_RNA)
where:
Base-Base interactions energy: -156.756
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.200
local terms energy: -78.517961
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -12.757
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: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -221.504150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.504150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.504150 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -68.367
Base-Backbone interact. energy: -0.817
local terms energy: -68.631334
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -238.123164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.123164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.123164 (E_RNA)
where:
Base-Base interactions energy: -156.652
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.351
local terms energy: -81.120076
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -224.253853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.253853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.253853 (E_RNA)
where:
Base-Base interactions energy: -153.096
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.045
local terms energy: -71.113345
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -188.350440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.350440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.350440 (E_RNA)
where:
Base-Base interactions energy: -116.954
where: short stacking energy: -55.665
Base-Backbone interact. energy: -0.116
local terms energy: -71.280046
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -100.804401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.804401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.804401 (E_RNA)
where:
Base-Base interactions energy: -53.241
where: short stacking energy: -29.584
Base-Backbone interact. energy: -0.038
local terms energy: -47.525123
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -92.865142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.865142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.865142 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.135
local terms energy: -58.203291
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -82.398034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398034 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -17.406
Base-Backbone interact. energy: 0.055
local terms energy: -58.972967
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -4.826
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: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -77.266930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.266930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.266930 (E_RNA)
where:
Base-Base interactions energy: -23.552
where: short stacking energy: -20.332
Base-Backbone interact. energy: 0.304
local terms energy: -54.018491
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -10.950
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: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -252.568882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.568882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.568882 (E_RNA)
where:
Base-Base interactions energy: -172.016
where: short stacking energy: -71.287
Base-Backbone interact. energy: -0.193
local terms energy: -80.359899
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -15.968
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: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -247.525854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.525854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.525854 (E_RNA)
where:
Base-Base interactions energy: -163.256
where: short stacking energy: -83.153
Base-Backbone interact. energy: -0.492
local terms energy: -83.777627
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -10.621
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: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -234.911254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.911254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.911254 (E_RNA)
where:
Base-Base interactions energy: -155.951
where: short stacking energy: -67.734
Base-Backbone interact. energy: -0.423
local terms energy: -78.537311
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -12.007
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: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -239.371600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.371600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.371600 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.723
local terms energy: -83.576000
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -193.810242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.810242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.810242 (E_RNA)
where:
Base-Base interactions energy: -122.900
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.048
local terms energy: -70.861551
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -217.849850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.849850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.849850 (E_RNA)
where:
Base-Base interactions energy: -154.475
where: short stacking energy: -54.085
Base-Backbone interact. energy: -0.383
local terms energy: -62.992590
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -113.245841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.245841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.245841 (E_RNA)
where:
Base-Base interactions energy: -41.632
where: short stacking energy: -31.509
Base-Backbone interact. energy: -0.451
local terms energy: -71.162202
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -78.696473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.696473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.696473 (E_RNA)
where:
Base-Base interactions energy: -25.005
where: short stacking energy: -23.874
Base-Backbone interact. energy: 0.208
local terms energy: -53.899174
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -7.184
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: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -93.459761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.459761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.459761 (E_RNA)
where:
Base-Base interactions energy: -45.040
where: short stacking energy: -40.008
Base-Backbone interact. energy: -0.003
local terms energy: -48.415960
where:
bonds (distance) C4'-P energy: -3.761
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -81.927651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.927651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.927651 (E_RNA)
where:
Base-Base interactions energy: -38.882
where: short stacking energy: -37.253
Base-Backbone interact. energy: -0.355
local terms energy: -42.690300
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -6.540
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -239.842102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.842102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.842102 (E_RNA)
where:
Base-Base interactions energy: -167.916
where: short stacking energy: -72.555
Base-Backbone interact. energy: -0.333
local terms energy: -71.592961
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -9.844
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: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -247.488384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.488384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.488384 (E_RNA)
where:
Base-Base interactions energy: -172.578
where: short stacking energy: -77.313
Base-Backbone interact. energy: -0.335
local terms energy: -74.575384
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -231.504077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.504077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.504077 (E_RNA)
where:
Base-Base interactions energy: -158.570
where: short stacking energy: -66.418
Base-Backbone interact. energy: 1.360
local terms energy: -74.293401
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -16.494
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: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -239.009456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.009456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.009456 (E_RNA)
where:
Base-Base interactions energy: -158.105
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.618
local terms energy: -80.286333
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -11.621
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: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -210.035219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.035219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.035219 (E_RNA)
where:
Base-Base interactions energy: -131.186
where: short stacking energy: -71.316
Base-Backbone interact. energy: -0.136
local terms energy: -78.713198
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -22.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -213.174597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174597 (E_RNA)
where:
Base-Base interactions energy: -154.419
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.075
local terms energy: -58.680700
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -2.818
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -113.474014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.474014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.474014 (E_RNA)
where:
Base-Base interactions energy: -52.876
where: short stacking energy: -30.612
Base-Backbone interact. energy: -0.229
local terms energy: -60.369326
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -88.180915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.180915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.180915 (E_RNA)
where:
Base-Base interactions energy: -43.575
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.309
local terms energy: -44.296849
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -6.470
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -85.222864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222864 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -34.024
Base-Backbone interact. energy: -0.212
local terms energy: -45.771980
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -80.780223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.780223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.780223 (E_RNA)
where:
Base-Base interactions energy: -26.058
where: short stacking energy: -26.058
Base-Backbone interact. energy: 2.166
local terms energy: -56.888091
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -7.692
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: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -242.918296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.918296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.918296 (E_RNA)
where:
Base-Base interactions energy: -159.674
where: short stacking energy: -76.272
Base-Backbone interact. energy: -0.792
local terms energy: -82.452409
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -237.258374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.258374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.258374 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -64.477
Base-Backbone interact. energy: 0.333
local terms energy: -83.916836
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -239.341576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.341576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.341576 (E_RNA)
where:
Base-Base interactions energy: -169.537
where: short stacking energy: -63.162
Base-Backbone interact. energy: -0.770
local terms energy: -69.034631
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -6.388
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: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -232.359401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.359401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.359401 (E_RNA)
where:
Base-Base interactions energy: -155.272
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.246
local terms energy: -76.840837
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -224.549306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.549306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.549306 (E_RNA)
where:
Base-Base interactions energy: -154.163
where: short stacking energy: -68.247
Base-Backbone interact. energy: -0.367
local terms energy: -70.018883
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -185.122786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.122786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.122786 (E_RNA)
where:
Base-Base interactions energy: -120.981
where: short stacking energy: -62.388
Base-Backbone interact. energy: -0.034
local terms energy: -64.107251
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -12.404
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: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -101.611977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.611977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.611977 (E_RNA)
where:
Base-Base interactions energy: -38.120
where: short stacking energy: -38.120
Base-Backbone interact. energy: 2.652
local terms energy: -66.144460
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -112.081169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.081169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.081169 (E_RNA)
where:
Base-Base interactions energy: -45.667
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.233
local terms energy: -66.181252
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -88.270663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.270663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.270663 (E_RNA)
where:
Base-Base interactions energy: -33.853
where: short stacking energy: -24.635
Base-Backbone interact. energy: -0.123
local terms energy: -54.295359
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -80.528593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.528593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.528593 (E_RNA)
where:
Base-Base interactions energy: -27.816
where: short stacking energy: -19.488
Base-Backbone interact. energy: -0.081
local terms energy: -52.631532
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -248.124459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.124459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.124459 (E_RNA)
where:
Base-Base interactions energy: -172.251
where: short stacking energy: -75.673
Base-Backbone interact. energy: -0.511
local terms energy: -75.363317
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -17.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -247.443579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.443579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.443579 (E_RNA)
where:
Base-Base interactions energy: -168.046
where: short stacking energy: -64.402
Base-Backbone interact. energy: -0.196
local terms energy: -79.201687
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -250.165603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.165603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.165603 (E_RNA)
where:
Base-Base interactions energy: -177.172
where: short stacking energy: -66.028
Base-Backbone interact. energy: 0.350
local terms energy: -73.343544
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -12.108
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: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -228.112028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.112028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.112028 (E_RNA)
where:
Base-Base interactions energy: -151.625
where: short stacking energy: -68.142
Base-Backbone interact. energy: -0.603
local terms energy: -75.883860
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -221.290502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.290502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.290502 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.735
local terms energy: -74.098566
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -178.684540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.684540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.684540 (E_RNA)
where:
Base-Base interactions energy: -113.983
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.597
local terms energy: -64.104517
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -12.910
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: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -98.522637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.522637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.522637 (E_RNA)
where:
Base-Base interactions energy: -40.986
where: short stacking energy: -40.080
Base-Backbone interact. energy: -0.025
local terms energy: -57.512397
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -88.707276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.707276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.707276 (E_RNA)
where:
Base-Base interactions energy: -34.822
where: short stacking energy: -34.512
Base-Backbone interact. energy: -0.008
local terms energy: -53.877334
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -4.129
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: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -85.259897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259897 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -24.990
Base-Backbone interact. energy: -1.132
local terms energy: -56.056900
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -7.889
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: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -78.175945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.175945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.175945 (E_RNA)
where:
Base-Base interactions energy: -22.028
where: short stacking energy: -20.028
Base-Backbone interact. energy: -0.031
local terms energy: -56.116712
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -254.738016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.738016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.738016 (E_RNA)
where:
Base-Base interactions energy: -178.907
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.344
local terms energy: -75.487238
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -13.004
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: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -242.756261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.756261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.756261 (E_RNA)
where:
Base-Base interactions energy: -162.673
where: short stacking energy: -74.908
Base-Backbone interact. energy: -0.333
local terms energy: -79.750249
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -230.391057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.391057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.391057 (E_RNA)
where:
Base-Base interactions energy: -152.803
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.769
local terms energy: -76.819003
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -226.595854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.595854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.595854 (E_RNA)
where:
Base-Base interactions energy: -150.152
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.764
local terms energy: -75.680744
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -227.091883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.091883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.091883 (E_RNA)
where:
Base-Base interactions energy: -145.749
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.207
local terms energy: -81.136054
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -180.456472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.456472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.456472 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -52.831
Base-Backbone interact. energy: -0.510
local terms energy: -66.356860
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -116.387858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.387858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.387858 (E_RNA)
where:
Base-Base interactions energy: -61.937
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.137
local terms energy: -54.313771
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -84.701373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.701373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.701373 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -26.193
Base-Backbone interact. energy: -0.356
local terms energy: -53.620238
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -1.186
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: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -88.256902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.256902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.256902 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -30.951
Base-Backbone interact. energy: -0.004
local terms energy: -57.301416
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -88.857224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.857224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.857224 (E_RNA)
where:
Base-Base interactions energy: -33.530
where: short stacking energy: -30.802
Base-Backbone interact. energy: -0.653
local terms energy: -54.674284
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -256.396778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.396778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.396778 (E_RNA)
where:
Base-Base interactions energy: -176.864
where: short stacking energy: -68.265
Base-Backbone interact. energy: -0.232
local terms energy: -79.299866
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -238.402619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.402619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.402619 (E_RNA)
where:
Base-Base interactions energy: -164.059
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.214
local terms energy: -74.130441
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -18.089
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: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -235.284495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.284495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.284495 (E_RNA)
where:
Base-Base interactions energy: -164.389
where: short stacking energy: -63.822
Base-Backbone interact. energy: 0.907
local terms energy: -71.802773
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -222.423891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.423891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.423891 (E_RNA)
where:
Base-Base interactions energy: -153.950
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.068
local terms energy: -68.405870
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -8.853
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: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -224.835175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.835175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.835175 (E_RNA)
where:
Base-Base interactions energy: -156.540
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.534
local terms energy: -67.761880
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -185.574004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.574004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.574004 (E_RNA)
where:
Base-Base interactions energy: -107.453
where: short stacking energy: -48.030
Base-Backbone interact. energy: -0.560
local terms energy: -77.560864
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -99.536422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.536422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.536422 (E_RNA)
where:
Base-Base interactions energy: -38.593
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.088
local terms energy: -60.856278
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -9.583
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: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -89.468915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468915 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -30.099
Base-Backbone interact. energy: -1.041
local terms energy: -44.402802
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -92.034853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.034853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.034853 (E_RNA)
where:
Base-Base interactions energy: -30.644
where: short stacking energy: -25.654
Base-Backbone interact. energy: -0.181
local terms energy: -61.208976
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -3.965
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: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -88.340004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.340004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.340004 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.627
local terms energy: -52.701967
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -255.439176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.439176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.439176 (E_RNA)
where:
Base-Base interactions energy: -170.937
where: short stacking energy: -62.159
Base-Backbone interact. energy: -1.021
local terms energy: -83.481353
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -242.417969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.417969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.417969 (E_RNA)
where:
Base-Base interactions energy: -167.106
where: short stacking energy: -83.049
Base-Backbone interact. energy: -0.408
local terms energy: -74.904030
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -226.760900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.760900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.760900 (E_RNA)
where:
Base-Base interactions energy: -154.462
where: short stacking energy: -58.323
Base-Backbone interact. energy: -0.607
local terms energy: -71.691881
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -242.127941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.127941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.127941 (E_RNA)
where:
Base-Base interactions energy: -164.524
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.033
local terms energy: -77.571154
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -204.345832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.345832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.345832 (E_RNA)
where:
Base-Base interactions energy: -118.183
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.002
local terms energy: -86.160935
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -218.936026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.936026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.936026 (E_RNA)
where:
Base-Base interactions energy: -144.513
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.137
local terms energy: -74.286006
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -97.235392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.235392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.235392 (E_RNA)
where:
Base-Base interactions energy: -37.666
where: short stacking energy: -37.766
Base-Backbone interact. energy: 0.506
local terms energy: -60.075789
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -85.367854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.367854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.367854 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.096
local terms energy: -56.042765
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -134.662429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.662429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.662429 (E_RNA)
where:
Base-Base interactions energy: -74.839
where: short stacking energy: -38.567
Base-Backbone interact. energy: -0.401
local terms energy: -59.421967
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -83.398034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.398034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.398034 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -33.129
Base-Backbone interact. energy: -0.137
local terms energy: -48.428647
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -240.761129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.761129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.761129 (E_RNA)
where:
Base-Base interactions energy: -165.094
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.888
local terms energy: -74.779182
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -11.291
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: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -238.649729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.649729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.649729 (E_RNA)
where:
Base-Base interactions energy: -160.369
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.285
local terms energy: -77.995692
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -11.323
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: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -233.095221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.095221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.095221 (E_RNA)
where:
Base-Base interactions energy: -154.812
where: short stacking energy: -73.406
Base-Backbone interact. energy: -1.387
local terms energy: -76.896748
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -12.909
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: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -221.298877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.298877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.298877 (E_RNA)
where:
Base-Base interactions energy: -150.565
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.846
local terms energy: -69.887992
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -172.269371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.269371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.269371 (E_RNA)
where:
Base-Base interactions energy: -105.280
where: short stacking energy: -55.695
Base-Backbone interact. energy: 0.214
local terms energy: -67.204209
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.400
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: 321
Temperature: 1.150000
Total energy: -231.141310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.141310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.141310 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -69.660
Base-Backbone interact. energy: 0.976
local terms energy: -78.987479
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -19.491
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -95.343848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343848 (E_RNA)
where:
Base-Base interactions energy: -41.595
where: short stacking energy: -34.266
Base-Backbone interact. energy: 0.430
local terms energy: -54.178976
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -161.939246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.939246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.939246 (E_RNA)
where:
Base-Base interactions energy: -105.490
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.257
local terms energy: -56.192281
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.685
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: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -85.733389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.733389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.733389 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.146
local terms energy: -55.006634
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -82.515397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515397 (E_RNA)
where:
Base-Base interactions energy: -24.812
where: short stacking energy: -24.812
Base-Backbone interact. energy: 0.267
local terms energy: -57.969929
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -243.203789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.203789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.203789 (E_RNA)
where:
Base-Base interactions energy: -162.306
where: short stacking energy: -66.278
Base-Backbone interact. energy: -0.311
local terms energy: -80.586492
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -247.032833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.032833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.032833 (E_RNA)
where:
Base-Base interactions energy: -168.035
where: short stacking energy: -68.734
Base-Backbone interact. energy: -0.223
local terms energy: -78.774343
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -235.669960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.669960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.669960 (E_RNA)
where:
Base-Base interactions energy: -160.868
where: short stacking energy: -74.043
Base-Backbone interact. energy: -0.241
local terms energy: -74.560636
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -224.469706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.469706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.469706 (E_RNA)
where:
Base-Base interactions energy: -155.324
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.148
local terms energy: -68.997524
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -13.974
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: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -229.477373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.477373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.477373 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -59.805
Base-Backbone interact. energy: -0.201
local terms energy: -76.800222
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -16.897
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: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -175.313665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.313665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.313665 (E_RNA)
where:
Base-Base interactions energy: -110.357
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.135
local terms energy: -64.821629
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -9.353
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: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -193.797332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.797332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.797332 (E_RNA)
where:
Base-Base interactions energy: -133.690
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.209
local terms energy: -59.898086
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -11.930
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: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -87.532706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.532706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.532706 (E_RNA)
where:
Base-Base interactions energy: -34.905
where: short stacking energy: -19.345
Base-Backbone interact. energy: 0.415
local terms energy: -53.042711
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.805
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: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -85.907844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.907844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.907844 (E_RNA)
where:
Base-Base interactions energy: -36.936
where: short stacking energy: -24.660
Base-Backbone interact. energy: 0.497
local terms energy: -49.468456
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -79.312259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.312259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.312259 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -18.552
Base-Backbone interact. energy: 0.482
local terms energy: -53.516765
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -252.162841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.162841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.162841 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -76.060
Base-Backbone interact. energy: -0.278
local terms energy: -84.188866
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -20.789
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: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -234.084024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.084024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.084024 (E_RNA)
where:
Base-Base interactions energy: -160.236
where: short stacking energy: -60.584
Base-Backbone interact. energy: -0.536
local terms energy: -73.311881
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -243.365061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.365061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.365061 (E_RNA)
where:
Base-Base interactions energy: -166.260
where: short stacking energy: -66.948
Base-Backbone interact. energy: -0.023
local terms energy: -77.082113
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -232.223073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.223073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.223073 (E_RNA)
where:
Base-Base interactions energy: -157.788
where: short stacking energy: -67.935
Base-Backbone interact. energy: 1.339
local terms energy: -75.774745
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -18.755
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: 323
Temperature: 1.100000
Total energy: -208.243505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.243505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.243505 (E_RNA)
where:
Base-Base interactions energy: -138.732
where: short stacking energy: -55.460
Base-Backbone interact. energy: -0.170
local terms energy: -69.341424
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -197.617480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.617480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.617480 (E_RNA)
where:
Base-Base interactions energy: -125.778
where: short stacking energy: -54.496
Base-Backbone interact. energy: 0.671
local terms energy: -72.510953
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -183.585282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.585282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.585282 (E_RNA)
where:
Base-Base interactions energy: -112.174
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.026
local terms energy: -71.385204
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -97.076542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.076542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.076542 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -21.048
Base-Backbone interact. energy: -0.529
local terms energy: -58.115461
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -96.719196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.719196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.719196 (E_RNA)
where:
Base-Base interactions energy: -37.374
where: short stacking energy: -27.535
Base-Backbone interact. energy: -0.281
local terms energy: -59.064602
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -8.562
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: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -92.471873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.471873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.471873 (E_RNA)
where:
Base-Base interactions energy: -31.542
where: short stacking energy: -31.542
Base-Backbone interact. energy: -0.050
local terms energy: -60.880721
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -242.747131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.747131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.747131 (E_RNA)
where:
Base-Base interactions energy: -163.854
where: short stacking energy: -69.477
Base-Backbone interact. energy: 0.391
local terms energy: -79.284093
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -241.568737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.568737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.568737 (E_RNA)
where:
Base-Base interactions energy: -162.970
where: short stacking energy: -69.447
Base-Backbone interact. energy: 0.090
local terms energy: -78.688313
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -251.633591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.633591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.633591 (E_RNA)
where:
Base-Base interactions energy: -166.942
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.083
local terms energy: -84.608884
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -241.045245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.045245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.045245 (E_RNA)
where:
Base-Base interactions energy: -170.196
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.164
local terms energy: -70.684367
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -14.720
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: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -220.689613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.689613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.689613 (E_RNA)
where:
Base-Base interactions energy: -144.923
where: short stacking energy: -67.625
Base-Backbone interact. energy: 0.119
local terms energy: -75.885235
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -221.143920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.143920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.143920 (E_RNA)
where:
Base-Base interactions energy: -143.505
where: short stacking energy: -63.181
Base-Backbone interact. energy: 0.577
local terms energy: -78.216605
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -132.333423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.333423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.333423 (E_RNA)
where:
Base-Base interactions energy: -73.267
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.036
local terms energy: -59.029821
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.497
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: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -90.758623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.758623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.758623 (E_RNA)
where:
Base-Base interactions energy: -35.866
where: short stacking energy: -35.866
Base-Backbone interact. energy: -0.093
local terms energy: -54.800540
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -90.988221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.988221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.988221 (E_RNA)
where:
Base-Base interactions energy: -39.991
where: short stacking energy: -29.572
Base-Backbone interact. energy: 0.939
local terms energy: -51.935602
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -5.931
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: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -81.863463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.863463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.863463 (E_RNA)
where:
Base-Base interactions energy: -30.860
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.434
local terms energy: -50.569859
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -7.289
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -247.296094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.296094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.296094 (E_RNA)
where:
Base-Base interactions energy: -155.729
where: short stacking energy: -67.658
Base-Backbone interact. energy: -1.800
local terms energy: -89.766876
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -241.753079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.753079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.753079 (E_RNA)
where:
Base-Base interactions energy: -159.541
where: short stacking energy: -73.075
Base-Backbone interact. energy: 0.009
local terms energy: -82.220521
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -246.359694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.359694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.359694 (E_RNA)
where:
Base-Base interactions energy: -176.427
where: short stacking energy: -74.446
Base-Backbone interact. energy: 2.599
local terms energy: -72.531852
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -235.533165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.533165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.533165 (E_RNA)
where:
Base-Base interactions energy: -157.000
where: short stacking energy: -63.614
Base-Backbone interact. energy: -0.286
local terms energy: -78.246775
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -230.034760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.034760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.034760 (E_RNA)
where:
Base-Base interactions energy: -161.320
where: short stacking energy: -65.468
Base-Backbone interact. energy: -0.272
local terms energy: -68.442577
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -220.855723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.855723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.855723 (E_RNA)
where:
Base-Base interactions energy: -147.153
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.245
local terms energy: -73.457621
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -157.361289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.361289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.361289 (E_RNA)
where:
Base-Base interactions energy: -89.489
where: short stacking energy: -38.816
Base-Backbone interact. energy: -1.338
local terms energy: -66.534038
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -90.122377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.122377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.122377 (E_RNA)
where:
Base-Base interactions energy: -44.202
where: short stacking energy: -44.202
Base-Backbone interact. energy: 0.505
local terms energy: -46.425080
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -88.940189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.940189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.940189 (E_RNA)
where:
Base-Base interactions energy: -22.081
where: short stacking energy: -22.081
Base-Backbone interact. energy: -0.204
local terms energy: -66.655571
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -10.651
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: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -80.957847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.957847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.957847 (E_RNA)
where:
Base-Base interactions energy: -25.347
where: short stacking energy: -16.046
Base-Backbone interact. energy: 0.206
local terms energy: -55.817258
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: 1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -256.160954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.160954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.160954 (E_RNA)
where:
Base-Base interactions energy: -174.782
where: short stacking energy: -76.287
Base-Backbone interact. energy: -0.166
local terms energy: -81.213460
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -248.269765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.269765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.269765 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -72.763
Base-Backbone interact. energy: -0.203
local terms energy: -80.923146
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -16.164
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: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -242.187591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.187591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.187591 (E_RNA)
where:
Base-Base interactions energy: -160.714
where: short stacking energy: -72.075
Base-Backbone interact. energy: -0.913
local terms energy: -80.559817
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -7.194
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: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -232.174253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.174253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.174253 (E_RNA)
where:
Base-Base interactions energy: -161.442
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.154
local terms energy: -70.578022
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -235.617605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.617605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.617605 (E_RNA)
where:
Base-Base interactions energy: -168.299
where: short stacking energy: -58.002
Base-Backbone interact. energy: 2.613
local terms energy: -69.931940
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -221.724651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.724651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.724651 (E_RNA)
where:
Base-Base interactions energy: -154.598
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.685
local terms energy: -66.442012
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -9.982
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: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -141.938006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.938006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.938006 (E_RNA)
where:
Base-Base interactions energy: -82.432
where: short stacking energy: -45.515
Base-Backbone interact. energy: -1.005
local terms energy: -58.501405
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -113.847103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.847103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.847103 (E_RNA)
where:
Base-Base interactions energy: -50.969
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.149
local terms energy: -62.729041
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -92.809700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.809700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.809700 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -33.815
Base-Backbone interact. energy: -0.003
local terms energy: -55.098869
where:
bonds (distance) C4'-P energy: -6.652
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -85.519075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.519075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.519075 (E_RNA)
where:
Base-Base interactions energy: -31.893
where: short stacking energy: -31.817
Base-Backbone interact. energy: -0.209
local terms energy: -53.417786
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -9.200
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: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -251.717060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.717060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.717060 (E_RNA)
where:
Base-Base interactions energy: -177.386
where: short stacking energy: -78.341
Base-Backbone interact. energy: -0.171
local terms energy: -74.159640
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -11.193
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: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -243.551232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.551232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.551232 (E_RNA)
where:
Base-Base interactions energy: -161.068
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.995
local terms energy: -81.488735
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -246.922380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.922380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.922380 (E_RNA)
where:
Base-Base interactions energy: -176.878
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.321
local terms energy: -69.723080
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -237.577218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.577218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.577218 (E_RNA)
where:
Base-Base interactions energy: -164.197
where: short stacking energy: -66.010
Base-Backbone interact. energy: 0.337
local terms energy: -73.716900
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -13.662
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: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -237.459912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.459912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.459912 (E_RNA)
where:
Base-Base interactions energy: -162.281
where: short stacking energy: -72.344
Base-Backbone interact. energy: 0.516
local terms energy: -75.694716
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -8.547
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: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -221.231224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.231224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.231224 (E_RNA)
where:
Base-Base interactions energy: -154.040
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.550
local terms energy: -66.641211
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -154.462059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.462059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.462059 (E_RNA)
where:
Base-Base interactions energy: -93.075
where: short stacking energy: -45.116
Base-Backbone interact. energy: 0.465
local terms energy: -61.852665
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.894
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: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -88.959659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.959659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.959659 (E_RNA)
where:
Base-Base interactions energy: -27.661
where: short stacking energy: -26.976
Base-Backbone interact. energy: -0.802
local terms energy: -60.496206
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -7.160
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: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -87.388428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.388428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.388428 (E_RNA)
where:
Base-Base interactions energy: -29.690
where: short stacking energy: -20.589
Base-Backbone interact. energy: -1.318
local terms energy: -56.380053
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -97.264441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.264441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.264441 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -26.520
Base-Backbone interact. energy: -0.106
local terms energy: -64.006603
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -258.115991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.115991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.115991 (E_RNA)
where:
Base-Base interactions energy: -178.018
where: short stacking energy: -75.475
Base-Backbone interact. energy: 0.444
local terms energy: -80.542870
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -242.332431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.332431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.332431 (E_RNA)
where:
Base-Base interactions energy: -162.449
where: short stacking energy: -67.685
Base-Backbone interact. energy: -0.010
local terms energy: -79.873748
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -18.844
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: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -249.236154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.236154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.236154 (E_RNA)
where:
Base-Base interactions energy: -169.162
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.184
local terms energy: -79.890729
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -17.769
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: 328
Temperature: 1.050000
Total energy: -226.078058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.078058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.078058 (E_RNA)
where:
Base-Base interactions energy: -155.051
where: short stacking energy: -61.022
Base-Backbone interact. energy: -0.720
local terms energy: -70.306632
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -225.818955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.818955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.818955 (E_RNA)
where:
Base-Base interactions energy: -160.477
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.778
local terms energy: -64.563737
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -241.986778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.986778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.986778 (E_RNA)
where:
Base-Base interactions energy: -165.095
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.383
local terms energy: -76.508373
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -162.118226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.118226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.118226 (E_RNA)
where:
Base-Base interactions energy: -98.233
where: short stacking energy: -49.399
Base-Backbone interact. energy: -0.580
local terms energy: -63.305790
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -93.081291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.081291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.081291 (E_RNA)
where:
Base-Base interactions energy: -39.297
where: short stacking energy: -36.214
Base-Backbone interact. energy: -0.487
local terms energy: -53.296744
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -1.827
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: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -85.362691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.362691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.362691 (E_RNA)
where:
Base-Base interactions energy: -41.798
where: short stacking energy: -35.643
Base-Backbone interact. energy: -0.122
local terms energy: -43.442545
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -96.164438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.164438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.164438 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -20.794
Base-Backbone interact. energy: -0.251
local terms energy: -50.772268
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -258.792309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.792309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.792309 (E_RNA)
where:
Base-Base interactions energy: -182.407
where: short stacking energy: -75.951
Base-Backbone interact. energy: -0.253
local terms energy: -76.132447
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -253.458344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.458344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.458344 (E_RNA)
where:
Base-Base interactions energy: -175.097
where: short stacking energy: -73.525
Base-Backbone interact. energy: 0.764
local terms energy: -79.124677
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -235.677017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.677017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.677017 (E_RNA)
where:
Base-Base interactions energy: -158.244
where: short stacking energy: -71.641
Base-Backbone interact. energy: -0.774
local terms energy: -76.658510
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -17.711
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: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -234.953619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.953619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.953619 (E_RNA)
where:
Base-Base interactions energy: -153.497
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.479
local terms energy: -80.978075
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -24.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -235.465013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.465013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.465013 (E_RNA)
where:
Base-Base interactions energy: -157.571
where: short stacking energy: -61.245
Base-Backbone interact. energy: -0.084
local terms energy: -77.810291
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -12.263
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: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -217.441499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.441499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.441499 (E_RNA)
where:
Base-Base interactions energy: -155.913
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.462
local terms energy: -61.066686
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -176.170559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.170559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.170559 (E_RNA)
where:
Base-Base interactions energy: -109.327
where: short stacking energy: -56.505
Base-Backbone interact. energy: -0.007
local terms energy: -66.837216
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -96.365491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.365491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.365491 (E_RNA)
where:
Base-Base interactions energy: -40.134
where: short stacking energy: -24.286
Base-Backbone interact. energy: -0.569
local terms energy: -55.662243
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -2.131
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: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -91.979247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.979247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.979247 (E_RNA)
where:
Base-Base interactions energy: -41.869
where: short stacking energy: -37.760
Base-Backbone interact. energy: -0.207
local terms energy: -49.903619
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -7.016
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -7.596
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: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -73.988829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.988829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.988829 (E_RNA)
where:
Base-Base interactions energy: -29.348
where: short stacking energy: -19.316
Base-Backbone interact. energy: -0.137
local terms energy: -44.503865
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -259.059215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.059215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.059215 (E_RNA)
where:
Base-Base interactions energy: -181.898
where: short stacking energy: -72.470
Base-Backbone interact. energy: -0.102
local terms energy: -77.059028
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -251.531337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.531337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.531337 (E_RNA)
where:
Base-Base interactions energy: -174.247
where: short stacking energy: -72.549
Base-Backbone interact. energy: -0.154
local terms energy: -77.131162
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -237.397494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.397494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.397494 (E_RNA)
where:
Base-Base interactions energy: -159.816
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.294
local terms energy: -77.287972
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -225.198714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.198714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.198714 (E_RNA)
where:
Base-Base interactions energy: -156.573
where: short stacking energy: -61.728
Base-Backbone interact. energy: -0.372
local terms energy: -68.253925
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -221.723940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723940 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.059
local terms energy: -75.065343
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -9.679
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: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -223.111351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.111351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.111351 (E_RNA)
where:
Base-Base interactions energy: -149.516
where: short stacking energy: -60.283
Base-Backbone interact. energy: 1.319
local terms energy: -74.913485
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -165.924245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.924245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.924245 (E_RNA)
where:
Base-Base interactions energy: -91.621
where: short stacking energy: -46.786
Base-Backbone interact. energy: -0.644
local terms energy: -73.659768
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -100.400155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.400155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.400155 (E_RNA)
where:
Base-Base interactions energy: -45.232
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.334
local terms energy: -54.833732
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -85.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765076 (E_RNA)
where:
Base-Base interactions energy: -39.265
where: short stacking energy: -35.348
Base-Backbone interact. energy: -0.009
local terms energy: -46.491405
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -78.809122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.809122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.809122 (E_RNA)
where:
Base-Base interactions energy: -22.886
where: short stacking energy: -16.806
Base-Backbone interact. energy: -1.178
local terms energy: -54.745518
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -252.597234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.597234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.597234 (E_RNA)
where:
Base-Base interactions energy: -172.748
where: short stacking energy: -80.524
Base-Backbone interact. energy: -0.034
local terms energy: -79.814923
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -10.458
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: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -239.690404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.690404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.690404 (E_RNA)
where:
Base-Base interactions energy: -156.503
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.889
local terms energy: -82.298686
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -18.620
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: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -242.592621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.592621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.592621 (E_RNA)
where:
Base-Base interactions energy: -170.064
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.250
local terms energy: -72.279283
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.382
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: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -234.054613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.054613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.054613 (E_RNA)
where:
Base-Base interactions energy: -154.043
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.349
local terms energy: -79.662528
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -225.941609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.941609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.941609 (E_RNA)
where:
Base-Base interactions energy: -159.146
where: short stacking energy: -70.774
Base-Backbone interact. energy: -1.332
local terms energy: -65.464085
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -16.317
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: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -217.376378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.376378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.376378 (E_RNA)
where:
Base-Base interactions energy: -148.132
where: short stacking energy: -56.083
Base-Backbone interact. energy: 0.294
local terms energy: -69.538444
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -15.554
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: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -157.021296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.021296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.021296 (E_RNA)
where:
Base-Base interactions energy: -93.191
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.298
local terms energy: -63.532103
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -109.109694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.109694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.109694 (E_RNA)
where:
Base-Base interactions energy: -42.047
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.701
local terms energy: -66.361851
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -82.304384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.304384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.304384 (E_RNA)
where:
Base-Base interactions energy: -23.499
where: short stacking energy: -23.499
Base-Backbone interact. energy: 0.472
local terms energy: -59.276986
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.982
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: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -82.740914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.740914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.740914 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -13.739
Base-Backbone interact. energy: 0.665
local terms energy: -49.819150
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: 3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -255.450370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.450370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.450370 (E_RNA)
where:
Base-Base interactions energy: -170.821
where: short stacking energy: -66.289
Base-Backbone interact. energy: -0.107
local terms energy: -84.522238
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -236.055540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.055540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.055540 (E_RNA)
where:
Base-Base interactions energy: -161.990
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.386
local terms energy: -73.679152
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -240.828164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.828164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.828164 (E_RNA)
where:
Base-Base interactions energy: -170.860
where: short stacking energy: -63.311
Base-Backbone interact. energy: -1.224
local terms energy: -68.743976
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -231.058365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.058365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.058365 (E_RNA)
where:
Base-Base interactions energy: -160.598
where: short stacking energy: -67.359
Base-Backbone interact. energy: -0.463
local terms energy: -69.996817
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -225.039524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.039524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.039524 (E_RNA)
where:
Base-Base interactions energy: -156.484
where: short stacking energy: -62.184
Base-Backbone interact. energy: 0.582
local terms energy: -69.137861
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.611
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: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -187.665658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.665658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.665658 (E_RNA)
where:
Base-Base interactions energy: -115.880
where: short stacking energy: -52.448
Base-Backbone interact. energy: -0.308
local terms energy: -71.477024
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -159.240348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.240348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.240348 (E_RNA)
where:
Base-Base interactions energy: -98.710
where: short stacking energy: -53.362
Base-Backbone interact. energy: -0.141
local terms energy: -60.389856
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -79.392631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.392631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.392631 (E_RNA)
where:
Base-Base interactions energy: -24.833
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.092
local terms energy: -54.468460
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -84.881113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881113 (E_RNA)
where:
Base-Base interactions energy: -27.457
where: short stacking energy: -24.800
Base-Backbone interact. energy: 1.345
local terms energy: -58.769601
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: 2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -80.765847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.765847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.765847 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -29.009
Base-Backbone interact. energy: -0.142
local terms energy: -50.312455
where:
bonds (distance) C4'-P energy: -6.715
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -258.351590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.351590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.351590 (E_RNA)
where:
Base-Base interactions energy: -179.490
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.860
local terms energy: -78.001618
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -235.430255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.430255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.430255 (E_RNA)
where:
Base-Base interactions energy: -161.662
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.962
local terms energy: -72.806636
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -17.423
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: 333
Temperature: 1.000000
Total energy: -226.464922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.464922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.464922 (E_RNA)
where:
Base-Base interactions energy: -154.815
where: short stacking energy: -66.625
Base-Backbone interact. energy: -1.651
local terms energy: -69.998639
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -216.813977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.813977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.813977 (E_RNA)
where:
Base-Base interactions energy: -146.798
where: short stacking energy: -52.492
Base-Backbone interact. energy: -0.533
local terms energy: -69.483599
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -8.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -219.121182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.121182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.121182 (E_RNA)
where:
Base-Base interactions energy: -143.327
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.406
local terms energy: -75.387830
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -152.606310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.606310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.606310 (E_RNA)
where:
Base-Base interactions energy: -99.051
where: short stacking energy: -58.842
Base-Backbone interact. energy: -0.671
local terms energy: -52.884130
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -7.987
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -167.526817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.526817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.526817 (E_RNA)
where:
Base-Base interactions energy: -112.218
where: short stacking energy: -43.819
Base-Backbone interact. energy: -1.013
local terms energy: -54.295234
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -8.139
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -103.514680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.514680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.514680 (E_RNA)
where:
Base-Base interactions energy: -41.867
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.111
local terms energy: -61.536039
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -90.439358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.439358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.439358 (E_RNA)
where:
Base-Base interactions energy: -41.634
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.085
local terms energy: -48.719995
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -9.216
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: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -78.090694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.090694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.090694 (E_RNA)
where:
Base-Base interactions energy: -27.347
where: short stacking energy: -26.030
Base-Backbone interact. energy: -0.936
local terms energy: -49.808115
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -248.667417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.667417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.667417 (E_RNA)
where:
Base-Base interactions energy: -171.124
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.220
local terms energy: -77.323715
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -250.363005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.363005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.363005 (E_RNA)
where:
Base-Base interactions energy: -169.808
where: short stacking energy: -65.616
Base-Backbone interact. energy: -0.524
local terms energy: -80.031667
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -215.364683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.364683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.364683 (E_RNA)
where:
Base-Base interactions energy: -137.728
where: short stacking energy: -60.473
Base-Backbone interact. energy: -0.539
local terms energy: -77.097786
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -229.705028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.705028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.705028 (E_RNA)
where:
Base-Base interactions energy: -159.335
where: short stacking energy: -69.853
Base-Backbone interact. energy: 0.166
local terms energy: -70.535272
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -228.134370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.134370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.134370 (E_RNA)
where:
Base-Base interactions energy: -148.568
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.289
local terms energy: -79.277613
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -179.865633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.865633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.865633 (E_RNA)
where:
Base-Base interactions energy: -107.864
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.108
local terms energy: -71.892977
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -146.831649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.831649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.831649 (E_RNA)
where:
Base-Base interactions energy: -85.270
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.465
local terms energy: -61.097054
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -105.597634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.597634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.597634 (E_RNA)
where:
Base-Base interactions energy: -47.368
where: short stacking energy: -47.368
Base-Backbone interact. energy: -0.169
local terms energy: -58.060961
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -85.164824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.164824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.164824 (E_RNA)
where:
Base-Base interactions energy: -35.814
where: short stacking energy: -31.571
Base-Backbone interact. energy: -0.286
local terms energy: -49.063973
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -8.797
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -94.620038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.620038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.620038 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -29.083
Base-Backbone interact. energy: -0.135
local terms energy: -59.983335
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -6.832
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: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -242.769913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.769913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.769913 (E_RNA)
where:
Base-Base interactions energy: -165.143
where: short stacking energy: -69.112
Base-Backbone interact. energy: -0.452
local terms energy: -77.174945
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -251.708293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.708293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.708293 (E_RNA)
where:
Base-Base interactions energy: -177.148
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.137
local terms energy: -74.423601
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -205.951296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.951296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.951296 (E_RNA)
where:
Base-Base interactions energy: -142.396
where: short stacking energy: -57.025
Base-Backbone interact. energy: -1.629
local terms energy: -61.925663
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -8.935
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: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -228.113777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.113777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.113777 (E_RNA)
where:
Base-Base interactions energy: -148.860
where: short stacking energy: -70.867
Base-Backbone interact. energy: -0.279
local terms energy: -78.974474
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -228.034099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.034099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.034099 (E_RNA)
where:
Base-Base interactions energy: -157.977
where: short stacking energy: -62.008
Base-Backbone interact. energy: 0.403
local terms energy: -70.459373
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -14.799
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: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -168.043522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.043522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.043522 (E_RNA)
where:
Base-Base interactions energy: -98.367
where: short stacking energy: -43.012
Base-Backbone interact. energy: -0.834
local terms energy: -68.841916
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -167.107832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.107832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.107832 (E_RNA)
where:
Base-Base interactions energy: -107.888
where: short stacking energy: -59.347
Base-Backbone interact. energy: -0.281
local terms energy: -58.939016
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -9.038
flat angles P-C4'-P energy: -8.823
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: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -97.794394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.794394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.794394 (E_RNA)
where:
Base-Base interactions energy: -46.756
where: short stacking energy: -28.906
Base-Backbone interact. energy: -0.223
local terms energy: -50.815963
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -6.486
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -116.809680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.809680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.809680 (E_RNA)
where:
Base-Base interactions energy: -65.436
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.016
local terms energy: -51.357204
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: 3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -82.108726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.108726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.108726 (E_RNA)
where:
Base-Base interactions energy: -28.953
where: short stacking energy: -28.953
Base-Backbone interact. energy: -0.542
local terms energy: -52.613840
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: 4.224
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: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -255.398024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.398024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.398024 (E_RNA)
where:
Base-Base interactions energy: -181.634
where: short stacking energy: -62.989
Base-Backbone interact. energy: 0.272
local terms energy: -74.036203
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.630
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: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -232.135985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.135985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.135985 (E_RNA)
where:
Base-Base interactions energy: -157.528
where: short stacking energy: -70.887
Base-Backbone interact. energy: 2.953
local terms energy: -77.561199
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -239.269371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.269371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.269371 (E_RNA)
where:
Base-Base interactions energy: -162.797
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.749
local terms energy: -75.723963
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -203.523142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.523142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.523142 (E_RNA)
where:
Base-Base interactions energy: -139.275
where: short stacking energy: -54.450
Base-Backbone interact. energy: -0.425
local terms energy: -63.822899
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.983
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: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -225.517026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.517026 (E_RNA)
where:
Base-Base interactions energy: -151.485
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.554
local terms energy: -73.477591
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -156.739801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.739801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.739801 (E_RNA)
where:
Base-Base interactions energy: -98.626
where: short stacking energy: -50.933
Base-Backbone interact. energy: -1.027
local terms energy: -57.087082
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -6.738
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -186.343626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.343626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.343626 (E_RNA)
where:
Base-Base interactions energy: -117.382
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.263
local terms energy: -68.698471
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -144.117265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.117265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.117265 (E_RNA)
where:
Base-Base interactions energy: -80.162
where: short stacking energy: -42.931
Base-Backbone interact. energy: -0.101
local terms energy: -63.854185
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -89.062678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.062678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.062678 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.723
local terms energy: -54.036654
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -8.116
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: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -88.312867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.312867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.312867 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -24.237
Base-Backbone interact. energy: 0.331
local terms energy: -58.693945
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -242.018095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.018095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.018095 (E_RNA)
where:
Base-Base interactions energy: -166.955
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.041
local terms energy: -75.021904
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -240.945514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.945514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.945514 (E_RNA)
where:
Base-Base interactions energy: -171.055
where: short stacking energy: -74.833
Base-Backbone interact. energy: 1.161
local terms energy: -71.051856
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -232.821758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.821758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.821758 (E_RNA)
where:
Base-Base interactions energy: -150.695
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.844
local terms energy: -81.282786
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -230.803357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.803357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.803357 (E_RNA)
where:
Base-Base interactions energy: -158.295
where: short stacking energy: -66.044
Base-Backbone interact. energy: 0.647
local terms energy: -73.155083
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -232.651271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.651271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.651271 (E_RNA)
where:
Base-Base interactions energy: -156.026
where: short stacking energy: -63.886
Base-Backbone interact. energy: 0.049
local terms energy: -76.674113
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -188.324386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.324386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.324386 (E_RNA)
where:
Base-Base interactions energy: -119.483
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.495
local terms energy: -68.346626
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -9.742
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: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -139.340407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.340407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.340407 (E_RNA)
where:
Base-Base interactions energy: -85.887
where: short stacking energy: -42.695
Base-Backbone interact. energy: 0.537
local terms energy: -53.990131
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -116.394742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.394742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.394742 (E_RNA)
where:
Base-Base interactions energy: -65.361
where: short stacking energy: -34.070
Base-Backbone interact. energy: -0.122
local terms energy: -50.911723
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -87.947607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.947607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.947607 (E_RNA)
where:
Base-Base interactions energy: -38.860
where: short stacking energy: -22.172
Base-Backbone interact. energy: -0.311
local terms energy: -48.776239
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -80.063937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.063937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.063937 (E_RNA)
where:
Base-Base interactions energy: -30.478
where: short stacking energy: -18.455
Base-Backbone interact. energy: -0.428
local terms energy: -49.157431
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: 3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -246.723297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.723297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.723297 (E_RNA)
where:
Base-Base interactions energy: -162.108
where: short stacking energy: -73.597
Base-Backbone interact. energy: -0.641
local terms energy: -83.974371
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -250.276421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.276421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.276421 (E_RNA)
where:
Base-Base interactions energy: -170.881
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.142
local terms energy: -79.252880
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -10.233
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -232.512122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.512122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.512122 (E_RNA)
where:
Base-Base interactions energy: -152.579
where: short stacking energy: -73.328
Base-Backbone interact. energy: -0.055
local terms energy: -79.878145
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -236.799352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.799352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.799352 (E_RNA)
where:
Base-Base interactions energy: -159.416
where: short stacking energy: -72.620
Base-Backbone interact. energy: -0.277
local terms energy: -77.106176
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.752
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: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -234.707432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.707432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.707432 (E_RNA)
where:
Base-Base interactions energy: -157.497
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.187
local terms energy: -77.023268
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -12.238
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: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -157.611767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.611767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.611767 (E_RNA)
where:
Base-Base interactions energy: -94.521
where: short stacking energy: -54.618
Base-Backbone interact. energy: -0.304
local terms energy: -62.786955
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -153.543335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.543335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.543335 (E_RNA)
where:
Base-Base interactions energy: -98.309
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.141
local terms energy: -55.093303
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -91.468866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.468866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.468866 (E_RNA)
where:
Base-Base interactions energy: -36.386
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.164
local terms energy: -54.919458
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -101.717893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.717893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.717893 (E_RNA)
where:
Base-Base interactions energy: -42.999
where: short stacking energy: -30.489
Base-Backbone interact. energy: -0.160
local terms energy: -58.558779
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.359
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: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -82.184066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184066 (E_RNA)
where:
Base-Base interactions energy: -29.584
where: short stacking energy: -24.941
Base-Backbone interact. energy: -0.183
local terms energy: -52.417290
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -2.377
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: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -243.062358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.062358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.062358 (E_RNA)
where:
Base-Base interactions energy: -163.093
where: short stacking energy: -69.997
Base-Backbone interact. energy: -0.474
local terms energy: -79.495407
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -239.946510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.946510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.946510 (E_RNA)
where:
Base-Base interactions energy: -164.070
where: short stacking energy: -72.639
Base-Backbone interact. energy: -0.233
local terms energy: -75.643420
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -248.654329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.654329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.654329 (E_RNA)
where:
Base-Base interactions energy: -172.808
where: short stacking energy: -71.055
Base-Backbone interact. energy: -0.339
local terms energy: -75.507815
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -232.515707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.515707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.515707 (E_RNA)
where:
Base-Base interactions energy: -159.865
where: short stacking energy: -78.222
Base-Backbone interact. energy: -0.949
local terms energy: -71.702006
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -225.065263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.065263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.065263 (E_RNA)
where:
Base-Base interactions energy: -154.505
where: short stacking energy: -73.557
Base-Backbone interact. energy: 0.110
local terms energy: -70.670402
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -164.195860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.195860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.195860 (E_RNA)
where:
Base-Base interactions energy: -86.960
where: short stacking energy: -46.549
Base-Backbone interact. energy: -0.177
local terms energy: -77.058865
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -11.041
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: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -161.249387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.249387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.249387 (E_RNA)
where:
Base-Base interactions energy: -94.526
where: short stacking energy: -38.486
Base-Backbone interact. energy: 0.325
local terms energy: -67.048133
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -13.197
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: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -90.462270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.462270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.462270 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.516
local terms energy: -58.158927
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -91.112762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.112762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.112762 (E_RNA)
where:
Base-Base interactions energy: -34.871
where: short stacking energy: -30.740
Base-Backbone interact. energy: -0.144
local terms energy: -56.097806
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -91.253634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.253634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.253634 (E_RNA)
where:
Base-Base interactions energy: -38.037
where: short stacking energy: -38.037
Base-Backbone interact. energy: -0.031
local terms energy: -53.185610
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -6.793
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: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -240.571090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.571090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.571090 (E_RNA)
where:
Base-Base interactions energy: -162.087
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.281
local terms energy: -78.203415
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -237.384321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.384321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.384321 (E_RNA)
where:
Base-Base interactions energy: -160.685
where: short stacking energy: -73.795
Base-Backbone interact. energy: -0.117
local terms energy: -76.582291
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -236.542796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.542796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.542796 (E_RNA)
where:
Base-Base interactions energy: -165.757
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.402
local terms energy: -70.383715
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -223.060010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.060010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.060010 (E_RNA)
where:
Base-Base interactions energy: -152.754
where: short stacking energy: -60.679
Base-Backbone interact. energy: -0.317
local terms energy: -69.988830
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -12.212
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: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -220.611482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.611482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.611482 (E_RNA)
where:
Base-Base interactions energy: -150.135
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.601
local terms energy: -69.874942
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -181.541548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.541548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.541548 (E_RNA)
where:
Base-Base interactions energy: -111.424
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.320
local terms energy: -69.798416
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -150.857707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.857707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.857707 (E_RNA)
where:
Base-Base interactions energy: -85.294
where: short stacking energy: -39.932
Base-Backbone interact. energy: 0.502
local terms energy: -66.066067
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -92.388997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.388997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.388997 (E_RNA)
where:
Base-Base interactions energy: -49.498
where: short stacking energy: -38.819
Base-Backbone interact. energy: -0.674
local terms energy: -42.216578
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -110.306758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.306758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.306758 (E_RNA)
where:
Base-Base interactions energy: -39.781
where: short stacking energy: -36.327
Base-Backbone interact. energy: -0.061
local terms energy: -70.465016
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -10.852
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: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -83.342633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.342633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.342633 (E_RNA)
where:
Base-Base interactions energy: -28.705
where: short stacking energy: -28.705
Base-Backbone interact. energy: -0.331
local terms energy: -54.306652
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -243.487437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.487437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.487437 (E_RNA)
where:
Base-Base interactions energy: -165.716
where: short stacking energy: -72.818
Base-Backbone interact. energy: -0.170
local terms energy: -77.601536
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -241.848941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.848941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.848941 (E_RNA)
where:
Base-Base interactions energy: -159.994
where: short stacking energy: -76.174
Base-Backbone interact. energy: -0.309
local terms energy: -81.545601
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -248.884135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.884135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.884135 (E_RNA)
where:
Base-Base interactions energy: -166.503
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.042
local terms energy: -82.339244
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -18.751
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: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -225.674881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.674881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.674881 (E_RNA)
where:
Base-Base interactions energy: -152.208
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.278
local terms energy: -73.189610
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -222.711538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.711538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.711538 (E_RNA)
where:
Base-Base interactions energy: -149.359
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.253
local terms energy: -73.099699
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -171.375513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.375513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.375513 (E_RNA)
where:
Base-Base interactions energy: -107.843
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.974
local terms energy: -62.558912
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -12.012
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: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -157.762289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.762289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.762289 (E_RNA)
where:
Base-Base interactions energy: -103.173
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.021
local terms energy: -54.568761
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -5.805
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: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -85.557444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557444 (E_RNA)
where:
Base-Base interactions energy: -27.085
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.147
local terms energy: -58.326271
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -92.642042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.642042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.642042 (E_RNA)
where:
Base-Base interactions energy: -43.801
where: short stacking energy: -39.353
Base-Backbone interact. energy: -0.222
local terms energy: -48.618654
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -97.152080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.152080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.152080 (E_RNA)
where:
Base-Base interactions energy: -41.446
where: short stacking energy: -28.069
Base-Backbone interact. energy: -0.123
local terms energy: -55.582251
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -9.982
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: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -245.107343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.107343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.107343 (E_RNA)
where:
Base-Base interactions energy: -167.807
where: short stacking energy: -69.204
Base-Backbone interact. energy: -0.173
local terms energy: -77.126649
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -246.551083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.551083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.551083 (E_RNA)
where:
Base-Base interactions energy: -172.737
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.170
local terms energy: -73.644864
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -228.161697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.161697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.161697 (E_RNA)
where:
Base-Base interactions energy: -151.013
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.243
local terms energy: -76.906412
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -242.160127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.160127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.160127 (E_RNA)
where:
Base-Base interactions energy: -169.906
where: short stacking energy: -71.750
Base-Backbone interact. energy: 0.093
local terms energy: -72.347449
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -219.162055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.162055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.162055 (E_RNA)
where:
Base-Base interactions energy: -157.374
where: short stacking energy: -45.073
Base-Backbone interact. energy: -0.177
local terms energy: -61.610277
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -171.118346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.118346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.118346 (E_RNA)
where:
Base-Base interactions energy: -110.273
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.211
local terms energy: -60.634471
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -166.477418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.477418 (E_RNA)
where:
Base-Base interactions energy: -103.521
where: short stacking energy: -45.386
Base-Backbone interact. energy: -0.176
local terms energy: -62.780396
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -6.059
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: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -93.626919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.626919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.626919 (E_RNA)
where:
Base-Base interactions energy: -50.610
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.336
local terms energy: -42.680903
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: 1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -82.875625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.875625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.875625 (E_RNA)
where:
Base-Base interactions energy: -29.242
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.203
local terms energy: -53.430519
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -75.066996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.066996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.066996 (E_RNA)
where:
Base-Base interactions energy: -25.064
where: short stacking energy: -24.618
Base-Backbone interact. energy: -0.234
local terms energy: -49.769249
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -5.488
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: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -238.528255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.528255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.528255 (E_RNA)
where:
Base-Base interactions energy: -161.393
where: short stacking energy: -71.293
Base-Backbone interact. energy: -0.635
local terms energy: -76.500640
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -239.280702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.280702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.280702 (E_RNA)
where:
Base-Base interactions energy: -162.257
where: short stacking energy: -77.781
Base-Backbone interact. energy: -0.265
local terms energy: -76.758563
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -234.005828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.005828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.005828 (E_RNA)
where:
Base-Base interactions energy: -162.639
where: short stacking energy: -67.006
Base-Backbone interact. energy: 0.963
local terms energy: -72.329504
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -15.205
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: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -239.920771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.920771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.920771 (E_RNA)
where:
Base-Base interactions energy: -163.526
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.377
local terms energy: -76.017180
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -209.286843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.286843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.286843 (E_RNA)
where:
Base-Base interactions energy: -143.708
where: short stacking energy: -53.792
Base-Backbone interact. energy: -0.508
local terms energy: -65.070430
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -9.327
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: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -161.679782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.679782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.679782 (E_RNA)
where:
Base-Base interactions energy: -95.523
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.378
local terms energy: -65.778786
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -154.268443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.268443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.268443 (E_RNA)
where:
Base-Base interactions energy: -93.576
where: short stacking energy: -37.508
Base-Backbone interact. energy: -1.032
local terms energy: -59.659921
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.472
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -92.850784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.850784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.850784 (E_RNA)
where:
Base-Base interactions energy: -34.633
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.179
local terms energy: -58.038259
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.611025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.611025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.611025 (E_RNA)
where:
Base-Base interactions energy: -38.342
where: short stacking energy: -33.965
Base-Backbone interact. energy: -0.108
local terms energy: -53.160802
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -6.227
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: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -89.820396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.820396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.820396 (E_RNA)
where:
Base-Base interactions energy: -40.032
where: short stacking energy: -29.691
Base-Backbone interact. energy: -0.430
local terms energy: -49.358015
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -3.540
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: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -247.592796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.592796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.592796 (E_RNA)
where:
Base-Base interactions energy: -169.881
where: short stacking energy: -66.920
Base-Backbone interact. energy: -0.109
local terms energy: -77.602937
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -13.419
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: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -233.041268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.041268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.041268 (E_RNA)
where:
Base-Base interactions energy: -151.451
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.822
local terms energy: -80.767903
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -14.219
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: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -243.697692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.697692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.697692 (E_RNA)
where:
Base-Base interactions energy: -168.304
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.118
local terms energy: -75.275073
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -15.695
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: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -223.915975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.915975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.915975 (E_RNA)
where:
Base-Base interactions energy: -147.418
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.244
local terms energy: -76.254038
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -14.169
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: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -202.546000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.546000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.546000 (E_RNA)
where:
Base-Base interactions energy: -146.559
where: short stacking energy: -56.801
Base-Backbone interact. energy: -0.250
local terms energy: -55.737563
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -6.903
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: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -149.728510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.728510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.728510 (E_RNA)
where:
Base-Base interactions energy: -92.657
where: short stacking energy: -46.383
Base-Backbone interact. energy: -0.051
local terms energy: -57.020182
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -7.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -168.248782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.248782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.248782 (E_RNA)
where:
Base-Base interactions energy: -103.812
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.364
local terms energy: -64.072433
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -6.081
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: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -93.449000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.449000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.449000 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -34.152
Base-Backbone interact. energy: -0.035
local terms energy: -59.261870
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -8.082
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: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -95.806278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.806278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.806278 (E_RNA)
where:
Base-Base interactions energy: -40.737
where: short stacking energy: -40.171
Base-Backbone interact. energy: -0.094
local terms energy: -54.974975
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -11.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -88.637973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.637973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.637973 (E_RNA)
where:
Base-Base interactions energy: -41.595
where: short stacking energy: -30.614
Base-Backbone interact. energy: -0.407
local terms energy: -46.635893
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -236.324616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.324616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.324616 (E_RNA)
where:
Base-Base interactions energy: -154.343
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.137
local terms energy: -81.844430
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -248.548665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.548665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.548665 (E_RNA)
where:
Base-Base interactions energy: -163.380
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.091
local terms energy: -85.077897
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -12.332
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: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -234.729097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.729097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.729097 (E_RNA)
where:
Base-Base interactions energy: -165.494
where: short stacking energy: -71.403
Base-Backbone interact. energy: -0.110
local terms energy: -69.125105
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -15.182
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: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -215.637757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.637757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.637757 (E_RNA)
where:
Base-Base interactions energy: -143.829
where: short stacking energy: -62.421
Base-Backbone interact. energy: -0.326
local terms energy: -71.482778
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.066
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: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -210.070483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.070483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.070483 (E_RNA)
where:
Base-Base interactions energy: -145.842
where: short stacking energy: -57.509
Base-Backbone interact. energy: 0.618
local terms energy: -64.846342
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -164.589428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.589428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.589428 (E_RNA)
where:
Base-Base interactions energy: -99.241
where: short stacking energy: -48.716
Base-Backbone interact. energy: 0.093
local terms energy: -65.441993
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -164.722098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.722098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.722098 (E_RNA)
where:
Base-Base interactions energy: -100.407
where: short stacking energy: -51.470
Base-Backbone interact. energy: -0.042
local terms energy: -64.273353
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -95.004904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.004904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.004904 (E_RNA)
where:
Base-Base interactions energy: -30.276
where: short stacking energy: -27.939
Base-Backbone interact. energy: -0.105
local terms energy: -64.623642
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -80.238412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238412 (E_RNA)
where:
Base-Base interactions energy: -28.664
where: short stacking energy: -28.460
Base-Backbone interact. energy: 0.681
local terms energy: -52.255652
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: 4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -83.597007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.597007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.597007 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -25.022
Base-Backbone interact. energy: -0.504
local terms energy: -51.020004
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: 2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -257.770717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.770717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.770717 (E_RNA)
where:
Base-Base interactions energy: -175.319
where: short stacking energy: -73.744
Base-Backbone interact. energy: -0.207
local terms energy: -82.244737
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -237.207265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.207265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.207265 (E_RNA)
where:
Base-Base interactions energy: -157.195
where: short stacking energy: -68.557
Base-Backbone interact. energy: -0.189
local terms energy: -79.823460
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -228.883113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.883113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.883113 (E_RNA)
where:
Base-Base interactions energy: -142.594
where: short stacking energy: -66.805
Base-Backbone interact. energy: -0.783
local terms energy: -85.506430
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -219.367370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.367370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.367370 (E_RNA)
where:
Base-Base interactions energy: -142.662
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.939
local terms energy: -75.766019
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -13.109
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: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -141.633727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.633727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.633727 (E_RNA)
where:
Base-Base interactions energy: -84.369
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.128
local terms energy: -57.137376
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -197.866023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.866023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.866023 (E_RNA)
where:
Base-Base interactions energy: -132.365
where: short stacking energy: -57.383
Base-Backbone interact. energy: -0.445
local terms energy: -65.055946
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -8.740
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: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -106.197504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.197504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.197504 (E_RNA)
where:
Base-Base interactions energy: -47.808
where: short stacking energy: -46.754
Base-Backbone interact. energy: -0.823
local terms energy: -57.566137
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -117.313832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.313832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.313832 (E_RNA)
where:
Base-Base interactions energy: -46.289
where: short stacking energy: -45.213
Base-Backbone interact. energy: 0.154
local terms energy: -71.178493
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -11.428
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: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -93.665400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.665400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.665400 (E_RNA)
where:
Base-Base interactions energy: -40.914
where: short stacking energy: -22.199
Base-Backbone interact. energy: 0.290
local terms energy: -53.041083
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -8.412
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: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -81.214796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.214796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.214796 (E_RNA)
where:
Base-Base interactions energy: -27.326
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.224
local terms energy: -53.664796
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -0.592
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: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -249.262479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.262479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.262479 (E_RNA)
where:
Base-Base interactions energy: -172.245
where: short stacking energy: -76.063
Base-Backbone interact. energy: 0.130
local terms energy: -77.147866
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -239.630065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.630065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.630065 (E_RNA)
where:
Base-Base interactions energy: -160.136
where: short stacking energy: -75.640
Base-Backbone interact. energy: -0.351
local terms energy: -79.143752
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.287
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: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -234.768720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.768720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.768720 (E_RNA)
where:
Base-Base interactions energy: -167.257
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.382
local terms energy: -67.129493
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -8.745
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -223.975825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.975825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.975825 (E_RNA)
where:
Base-Base interactions energy: -151.046
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.348
local terms energy: -72.582506
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -14.893
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -155.336502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.336502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.336502 (E_RNA)
where:
Base-Base interactions energy: -95.213
where: short stacking energy: -48.249
Base-Backbone interact. energy: 0.304
local terms energy: -60.426883
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -10.795
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: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -209.393538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.393538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.393538 (E_RNA)
where:
Base-Base interactions energy: -144.552
where: short stacking energy: -48.208
Base-Backbone interact. energy: -0.446
local terms energy: -64.396077
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -108.910549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.910549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.910549 (E_RNA)
where:
Base-Base interactions energy: -50.091
where: short stacking energy: -33.377
Base-Backbone interact. energy: -0.124
local terms energy: -58.695259
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -103.102753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.102753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.102753 (E_RNA)
where:
Base-Base interactions energy: -46.282
where: short stacking energy: -46.282
Base-Backbone interact. energy: -0.005
local terms energy: -56.816213
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -89.626882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.626882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.626882 (E_RNA)
where:
Base-Base interactions energy: -40.000
where: short stacking energy: -19.283
Base-Backbone interact. energy: -0.262
local terms energy: -49.364733
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -80.051866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.051866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.051866 (E_RNA)
where:
Base-Base interactions energy: -30.317
where: short stacking energy: -25.992
Base-Backbone interact. energy: 4.632
local terms energy: -54.365975
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -245.906444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.906444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.906444 (E_RNA)
where:
Base-Base interactions energy: -165.491
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.388
local terms energy: -80.027512
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -245.256854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.256854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.256854 (E_RNA)
where:
Base-Base interactions energy: -166.014
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.144
local terms energy: -79.098607
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -233.298365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.298365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.298365 (E_RNA)
where:
Base-Base interactions energy: -158.085
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.412
local terms energy: -74.801530
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -228.482606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.482606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.482606 (E_RNA)
where:
Base-Base interactions energy: -161.410
where: short stacking energy: -67.090
Base-Backbone interact. energy: -0.299
local terms energy: -66.773984
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -216.425395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.425395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.425395 (E_RNA)
where:
Base-Base interactions energy: -149.191
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.623
local terms energy: -66.611679
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -146.680808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.680808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.680808 (E_RNA)
where:
Base-Base interactions energy: -83.036
where: short stacking energy: -39.132
Base-Backbone interact. energy: -1.724
local terms energy: -61.921281
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -111.050965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.050965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.050965 (E_RNA)
where:
Base-Base interactions energy: -61.788
where: short stacking energy: -41.541
Base-Backbone interact. energy: 1.159
local terms energy: -50.421922
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -100.614615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.614615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.614615 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -38.831
Base-Backbone interact. energy: -0.186
local terms energy: -57.884749
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -86.140791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140791 (E_RNA)
where:
Base-Base interactions energy: -29.030
where: short stacking energy: -27.923
Base-Backbone interact. energy: -0.140
local terms energy: -56.970742
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -3.806
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: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -82.072607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.072607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.072607 (E_RNA)
where:
Base-Base interactions energy: -30.524
where: short stacking energy: -30.524
Base-Backbone interact. energy: 0.148
local terms energy: -51.697204
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -242.236293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.236293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.236293 (E_RNA)
where:
Base-Base interactions energy: -163.965
where: short stacking energy: -78.942
Base-Backbone interact. energy: -0.214
local terms energy: -78.056633
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -242.421075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.421075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.421075 (E_RNA)
where:
Base-Base interactions energy: -161.331
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.382
local terms energy: -80.708049
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -9.446
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: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -246.966294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.966294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.966294 (E_RNA)
where:
Base-Base interactions energy: -176.273
where: short stacking energy: -77.713
Base-Backbone interact. energy: -0.242
local terms energy: -70.451901
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -226.002173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.002173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.002173 (E_RNA)
where:
Base-Base interactions energy: -143.930
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.391
local terms energy: -81.681358
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -223.554380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.554380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.554380 (E_RNA)
where:
Base-Base interactions energy: -155.739
where: short stacking energy: -60.372
Base-Backbone interact. energy: 0.552
local terms energy: -68.367023
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -172.231005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.231005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.231005 (E_RNA)
where:
Base-Base interactions energy: -115.150
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.893
local terms energy: -56.187545
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -13.889
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: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -106.353881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.353881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.353881 (E_RNA)
where:
Base-Base interactions energy: -47.293
where: short stacking energy: -40.978
Base-Backbone interact. energy: 0.849
local terms energy: -59.909965
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -7.044
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: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -101.440700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.440700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.440700 (E_RNA)
where:
Base-Base interactions energy: -40.185
where: short stacking energy: -40.185
Base-Backbone interact. energy: -0.009
local terms energy: -61.247251
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.118
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: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -89.683317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.683317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.683317 (E_RNA)
where:
Base-Base interactions energy: -36.715
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.036
local terms energy: -52.932489
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -79.983637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.983637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.983637 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -21.226
Base-Backbone interact. energy: 0.802
local terms energy: -50.393175
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -249.595879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.595879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.595879 (E_RNA)
where:
Base-Base interactions energy: -171.952
where: short stacking energy: -71.900
Base-Backbone interact. energy: 0.908
local terms energy: -78.551123
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -240.179824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.179824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.179824 (E_RNA)
where:
Base-Base interactions energy: -164.212
where: short stacking energy: -70.757
Base-Backbone interact. energy: -0.217
local terms energy: -75.751138
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -244.326459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.326459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.326459 (E_RNA)
where:
Base-Base interactions energy: -171.567
where: short stacking energy: -77.304
Base-Backbone interact. energy: -0.170
local terms energy: -72.589903
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -11.399
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: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -220.884874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.884874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.884874 (E_RNA)
where:
Base-Base interactions energy: -151.329
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.379
local terms energy: -69.176893
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -226.404870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.404870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.404870 (E_RNA)
where:
Base-Base interactions energy: -166.185
where: short stacking energy: -67.055
Base-Backbone interact. energy: -0.685
local terms energy: -59.535408
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -1.928
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -206.246456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.246456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.246456 (E_RNA)
where:
Base-Base interactions energy: -140.319
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.561
local terms energy: -65.366504
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -102.300880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.300880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.300880 (E_RNA)
where:
Base-Base interactions energy: -34.328
where: short stacking energy: -31.647
Base-Backbone interact. energy: -0.016
local terms energy: -67.956313
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -85.739383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.739383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.739383 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -23.446
Base-Backbone interact. energy: -0.054
local terms energy: -55.772644
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -91.240774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.240774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.240774 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -26.109
Base-Backbone interact. energy: -0.690
local terms energy: -43.517216
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -84.904455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.904455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.904455 (E_RNA)
where:
Base-Base interactions energy: -33.003
where: short stacking energy: -33.103
Base-Backbone interact. energy: -0.021
local terms energy: -51.880276
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -7.810
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: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -245.419337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.419337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.419337 (E_RNA)
where:
Base-Base interactions energy: -165.172
where: short stacking energy: -68.449
Base-Backbone interact. energy: 1.012
local terms energy: -81.258496
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -11.146
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: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -257.833301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.833301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.833301 (E_RNA)
where:
Base-Base interactions energy: -185.017
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.272
local terms energy: -72.544494
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -11.029
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: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -225.433682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.433682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.433682 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -63.888
Base-Backbone interact. energy: -1.354
local terms energy: -66.902915
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -230.763948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.763948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.763948 (E_RNA)
where:
Base-Base interactions energy: -152.512
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.236
local terms energy: -78.016326
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -17.709
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: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -223.126688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.126688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.126688 (E_RNA)
where:
Base-Base interactions energy: -148.061
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.533
local terms energy: -74.532948
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -216.394085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.394085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.394085 (E_RNA)
where:
Base-Base interactions energy: -145.081
where: short stacking energy: -68.140
Base-Backbone interact. energy: 0.777
local terms energy: -72.090475
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -108.862189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.862189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.862189 (E_RNA)
where:
Base-Base interactions energy: -47.051
where: short stacking energy: -47.051
Base-Backbone interact. energy: -0.044
local terms energy: -61.767210
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -89.189159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.189159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.189159 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -21.292
Base-Backbone interact. energy: -0.418
local terms energy: -56.521026
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -89.043653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.043653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.043653 (E_RNA)
where:
Base-Base interactions energy: -38.157
where: short stacking energy: -36.374
Base-Backbone interact. energy: 0.370
local terms energy: -51.256684
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -4.486
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -87.357366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357366 (E_RNA)
where:
Base-Base interactions energy: -27.780
where: short stacking energy: -24.988
Base-Backbone interact. energy: -0.271
local terms energy: -59.305975
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -256.196886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.196886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.196886 (E_RNA)
where:
Base-Base interactions energy: -185.238
where: short stacking energy: -63.031
Base-Backbone interact. energy: -0.071
local terms energy: -70.888534
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -10.147
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: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -235.568221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.568221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.568221 (E_RNA)
where:
Base-Base interactions energy: -156.871
where: short stacking energy: -64.686
Base-Backbone interact. energy: -0.136
local terms energy: -78.561932
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -237.150107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.150107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.150107 (E_RNA)
where:
Base-Base interactions energy: -165.686
where: short stacking energy: -68.782
Base-Backbone interact. energy: -0.344
local terms energy: -71.120379
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -226.626808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.626808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.626808 (E_RNA)
where:
Base-Base interactions energy: -147.774
where: short stacking energy: -68.594
Base-Backbone interact. energy: -0.353
local terms energy: -78.499255
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -12.147
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: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -218.944211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.944211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.944211 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.032
local terms energy: -69.807318
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -217.097723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.097723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.097723 (E_RNA)
where:
Base-Base interactions energy: -154.954
where: short stacking energy: -50.254
Base-Backbone interact. energy: 0.339
local terms energy: -62.482550
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -126.322330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.322330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.322330 (E_RNA)
where:
Base-Base interactions energy: -62.670
where: short stacking energy: -48.814
Base-Backbone interact. energy: -0.337
local terms energy: -63.315371
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -14.005
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: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -97.865943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.865943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.865943 (E_RNA)
where:
Base-Base interactions energy: -48.258
where: short stacking energy: -43.463
Base-Backbone interact. energy: 0.437
local terms energy: -50.044677
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -96.181706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181706 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.599
local terms energy: -56.629087
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -10.798
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: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -86.514544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.514544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.514544 (E_RNA)
where:
Base-Base interactions energy: -26.956
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.190
local terms energy: -59.368509
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -255.599138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.599138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.599138 (E_RNA)
where:
Base-Base interactions energy: -186.408
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.167
local terms energy: -69.023589
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -15.233
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: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -242.089753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.089753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.089753 (E_RNA)
where:
Base-Base interactions energy: -163.802
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.252
local terms energy: -78.035016
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -11.766
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: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -246.784110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.784110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.784110 (E_RNA)
where:
Base-Base interactions energy: -166.648
where: short stacking energy: -69.365
Base-Backbone interact. energy: -0.236
local terms energy: -79.900198
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -235.675088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.675088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.675088 (E_RNA)
where:
Base-Base interactions energy: -155.576
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.119
local terms energy: -79.979467
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -17.187
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: 353
Temperature: 1.100000
Total energy: -225.790019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.790019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.790019 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.535
local terms energy: -82.506039
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -221.108080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.108080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.108080 (E_RNA)
where:
Base-Base interactions energy: -152.284
where: short stacking energy: -67.000
Base-Backbone interact. energy: -1.550
local terms energy: -67.274075
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -146.363523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.363523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.363523 (E_RNA)
where:
Base-Base interactions energy: -78.460
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.050
local terms energy: -67.853522
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -94.224393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.224393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.224393 (E_RNA)
where:
Base-Base interactions energy: -34.710
where: short stacking energy: -34.710
Base-Backbone interact. energy: -0.090
local terms energy: -59.424627
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -90.654494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.654494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.654494 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -17.175
Base-Backbone interact. energy: -0.035
local terms energy: -50.310641
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -102.441034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441034 (E_RNA)
where:
Base-Base interactions energy: -41.946
where: short stacking energy: -39.930
Base-Backbone interact. energy: -0.254
local terms energy: -60.241166
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -5.444
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: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -251.024738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.024738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.024738 (E_RNA)
where:
Base-Base interactions energy: -176.192
where: short stacking energy: -69.489
Base-Backbone interact. energy: -0.208
local terms energy: -74.624624
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -252.510643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.510643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.510643 (E_RNA)
where:
Base-Base interactions energy: -172.815
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.155
local terms energy: -79.541008
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -234.276064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.276064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.276064 (E_RNA)
where:
Base-Base interactions energy: -161.919
where: short stacking energy: -65.055
Base-Backbone interact. energy: 0.308
local terms energy: -72.665496
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -12.942
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: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -221.246283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.246283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.246283 (E_RNA)
where:
Base-Base interactions energy: -150.518
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.097
local terms energy: -70.630765
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -8.652
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: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -235.340594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.340594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.340594 (E_RNA)
where:
Base-Base interactions energy: -154.974
where: short stacking energy: -75.608
Base-Backbone interact. energy: -0.160
local terms energy: -80.206732
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -218.473872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.473872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.473872 (E_RNA)
where:
Base-Base interactions energy: -149.279
where: short stacking energy: -60.045
Base-Backbone interact. energy: -0.578
local terms energy: -68.616539
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.005
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: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -97.650004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.650004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.650004 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -29.315
Base-Backbone interact. energy: -0.206
local terms energy: -64.455037
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -123.872437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.872437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.872437 (E_RNA)
where:
Base-Base interactions energy: -65.178
where: short stacking energy: -41.925
Base-Backbone interact. energy: -0.768
local terms energy: -57.926802
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -5.650
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: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -79.005427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.005427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.005427 (E_RNA)
where:
Base-Base interactions energy: -27.290
where: short stacking energy: -25.936
Base-Backbone interact. energy: 1.291
local terms energy: -53.006531
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: 2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -81.894221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.894221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.894221 (E_RNA)
where:
Base-Base interactions energy: -29.409
where: short stacking energy: -28.287
Base-Backbone interact. energy: -0.399
local terms energy: -52.086171
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -257.767231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.767231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.767231 (E_RNA)
where:
Base-Base interactions energy: -180.586
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.739
local terms energy: -76.442044
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -14.066
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: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -237.582555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.582555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.582555 (E_RNA)
where:
Base-Base interactions energy: -164.698
where: short stacking energy: -71.093
Base-Backbone interact. energy: 0.333
local terms energy: -73.217564
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -11.900
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: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -247.264756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.264756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.264756 (E_RNA)
where:
Base-Base interactions energy: -170.528
where: short stacking energy: -62.920
Base-Backbone interact. energy: 1.665
local terms energy: -78.401169
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -18.412
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: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -227.386670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.386670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.386670 (E_RNA)
where:
Base-Base interactions energy: -152.011
where: short stacking energy: -57.420
Base-Backbone interact. energy: -0.208
local terms energy: -75.166936
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -227.496451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.496451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.496451 (E_RNA)
where:
Base-Base interactions energy: -154.628
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.087
local terms energy: -72.781317
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -11.484
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: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -223.352925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.352925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.352925 (E_RNA)
where:
Base-Base interactions energy: -149.705
where: short stacking energy: -67.090
Base-Backbone interact. energy: -0.630
local terms energy: -73.017510
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -88.318306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.318306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.318306 (E_RNA)
where:
Base-Base interactions energy: -29.929
where: short stacking energy: -29.929
Base-Backbone interact. energy: -0.108
local terms energy: -58.281275
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -116.611610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.611610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.611610 (E_RNA)
where:
Base-Base interactions energy: -64.026
where: short stacking energy: -31.664
Base-Backbone interact. energy: 0.287
local terms energy: -52.872574
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -104.597457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.597457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.597457 (E_RNA)
where:
Base-Base interactions energy: -38.045
where: short stacking energy: -38.294
Base-Backbone interact. energy: -0.158
local terms energy: -66.394833
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -86.027666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.027666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.027666 (E_RNA)
where:
Base-Base interactions energy: -28.747
where: short stacking energy: -22.495
Base-Backbone interact. energy: -0.553
local terms energy: -56.727171
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -12.118
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: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -251.650935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.650935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.650935 (E_RNA)
where:
Base-Base interactions energy: -172.000
where: short stacking energy: -62.309
Base-Backbone interact. energy: -0.466
local terms energy: -79.185289
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.179
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: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -242.095487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.095487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.095487 (E_RNA)
where:
Base-Base interactions energy: -171.320
where: short stacking energy: -73.420
Base-Backbone interact. energy: -1.144
local terms energy: -69.631895
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -245.548727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.548727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.548727 (E_RNA)
where:
Base-Base interactions energy: -173.099
where: short stacking energy: -68.673
Base-Backbone interact. energy: -0.052
local terms energy: -72.397749
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -9.697
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: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -235.018933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.018933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.018933 (E_RNA)
where:
Base-Base interactions energy: -162.460
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.136
local terms energy: -72.422255
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -210.670362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.670362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.670362 (E_RNA)
where:
Base-Base interactions energy: -135.607
where: short stacking energy: -61.124
Base-Backbone interact. energy: 0.575
local terms energy: -75.638494
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -12.256
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -216.619949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.619949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.619949 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -65.563
Base-Backbone interact. energy: -0.681
local terms energy: -73.112135
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -106.462581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.462581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.462581 (E_RNA)
where:
Base-Base interactions energy: -47.228
where: short stacking energy: -37.163
Base-Backbone interact. energy: -0.407
local terms energy: -58.827592
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -122.120374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.120374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.120374 (E_RNA)
where:
Base-Base interactions energy: -63.874
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.131
local terms energy: -58.114960
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -98.643704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.643704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.643704 (E_RNA)
where:
Base-Base interactions energy: -42.891
where: short stacking energy: -39.645
Base-Backbone interact. energy: -0.084
local terms energy: -55.668673
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -80.571407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.571407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.571407 (E_RNA)
where:
Base-Base interactions energy: -20.214
where: short stacking energy: -13.310
Base-Backbone interact. energy: -0.119
local terms energy: -60.239001
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -247.044012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.044012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.044012 (E_RNA)
where:
Base-Base interactions energy: -171.639
where: short stacking energy: -67.893
Base-Backbone interact. energy: -0.192
local terms energy: -75.212701
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -245.054025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.054025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.054025 (E_RNA)
where:
Base-Base interactions energy: -168.011
where: short stacking energy: -75.748
Base-Backbone interact. energy: -0.378
local terms energy: -76.665680
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -235.352301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.352301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.352301 (E_RNA)
where:
Base-Base interactions energy: -150.519
where: short stacking energy: -69.741
Base-Backbone interact. energy: -0.896
local terms energy: -83.937364
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -21.935
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: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -228.492003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.492003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.492003 (E_RNA)
where:
Base-Base interactions energy: -159.917
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.141
local terms energy: -68.433984
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -226.139191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139191 (E_RNA)
where:
Base-Base interactions energy: -158.914
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.181
local terms energy: -67.043858
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -212.213316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.213316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.213316 (E_RNA)
where:
Base-Base interactions energy: -142.313
where: short stacking energy: -72.069
Base-Backbone interact. energy: 2.951
local terms energy: -72.850802
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -88.975974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.975974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.975974 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -32.242
Base-Backbone interact. energy: -0.153
local terms energy: -56.581554
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -6.077
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: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -87.720257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.720257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.720257 (E_RNA)
where:
Base-Base interactions energy: -29.175
where: short stacking energy: -21.289
Base-Backbone interact. energy: -0.403
local terms energy: -58.142261
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -12.648
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: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -85.904892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.904892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.904892 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.895
local terms energy: -51.825935
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -4.095
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: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -86.307766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.307766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.307766 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.132
local terms energy: -53.044264
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -244.161682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.161682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.161682 (E_RNA)
where:
Base-Base interactions energy: -161.871
where: short stacking energy: -72.142
Base-Backbone interact. energy: -0.228
local terms energy: -82.062624
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -13.764
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: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -246.477517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.477517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.477517 (E_RNA)
where:
Base-Base interactions energy: -180.077
where: short stacking energy: -64.695
Base-Backbone interact. energy: 1.312
local terms energy: -67.712853
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -232.889473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.889473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.889473 (E_RNA)
where:
Base-Base interactions energy: -161.391
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.175
local terms energy: -71.323185
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -226.405817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.405817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.405817 (E_RNA)
where:
Base-Base interactions energy: -155.725
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.201
local terms energy: -70.479322
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -237.802668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.802668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.802668 (E_RNA)
where:
Base-Base interactions energy: -169.604
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.413
local terms energy: -67.785506
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -221.615109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.615109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.615109 (E_RNA)
where:
Base-Base interactions energy: -151.262
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.353
local terms energy: -69.999222
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -95.908946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.908946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.908946 (E_RNA)
where:
Base-Base interactions energy: -37.528
where: short stacking energy: -37.528
Base-Backbone interact. energy: -0.161
local terms energy: -58.219984
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -87.078693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.078693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.078693 (E_RNA)
where:
Base-Base interactions energy: -24.501
where: short stacking energy: -24.501
Base-Backbone interact. energy: -0.011
local terms energy: -62.566529
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -99.420967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.420967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.420967 (E_RNA)
where:
Base-Base interactions energy: -45.000
where: short stacking energy: -42.924
Base-Backbone interact. energy: -0.009
local terms energy: -54.411896
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -77.301017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.301017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.301017 (E_RNA)
where:
Base-Base interactions energy: -29.843
where: short stacking energy: -22.610
Base-Backbone interact. energy: -0.457
local terms energy: -47.001814
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -242.740746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.740746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.740746 (E_RNA)
where:
Base-Base interactions energy: -159.939
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.239
local terms energy: -82.561937
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -20.945
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: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -245.249564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.249564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.249564 (E_RNA)
where:
Base-Base interactions energy: -164.494
where: short stacking energy: -65.750
Base-Backbone interact. energy: 0.829
local terms energy: -81.583989
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -238.734055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.734055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.734055 (E_RNA)
where:
Base-Base interactions energy: -162.363
where: short stacking energy: -64.233
Base-Backbone interact. energy: 0.328
local terms energy: -76.699018
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -239.196276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.196276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.196276 (E_RNA)
where:
Base-Base interactions energy: -168.472
where: short stacking energy: -68.036
Base-Backbone interact. energy: -0.243
local terms energy: -70.481092
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -222.116418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.116418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.116418 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.190
local terms energy: -79.856981
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -13.921
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: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -221.347206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.347206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.347206 (E_RNA)
where:
Base-Base interactions energy: -161.653
where: short stacking energy: -73.920
Base-Backbone interact. energy: -0.056
local terms energy: -59.638547
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -1.920
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -95.643381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.643381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.643381 (E_RNA)
where:
Base-Base interactions energy: -38.091
where: short stacking energy: -27.111
Base-Backbone interact. energy: -0.626
local terms energy: -56.925586
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -95.029124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.029124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.029124 (E_RNA)
where:
Base-Base interactions energy: -35.206
where: short stacking energy: -34.735
Base-Backbone interact. energy: -0.844
local terms energy: -58.979062
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -7.490
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: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -84.978707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.978707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.978707 (E_RNA)
where:
Base-Base interactions energy: -35.801
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.101
local terms energy: -49.077090
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: 1.456
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: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -78.674690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.674690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.674690 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -24.018
Base-Backbone interact. energy: -0.281
local terms energy: -46.140210
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: 2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -249.889961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.889961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.889961 (E_RNA)
where:
Base-Base interactions energy: -170.339
where: short stacking energy: -77.914
Base-Backbone interact. energy: -1.485
local terms energy: -78.066228
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -12.714
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: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -233.734953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.734953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.734953 (E_RNA)
where:
Base-Base interactions energy: -158.150
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.499
local terms energy: -75.085351
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -16.729
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: 3, replica: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -247.090842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.090842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.090842 (E_RNA)
where:
Base-Base interactions energy: -173.012
where: short stacking energy: -69.691
Base-Backbone interact. energy: -0.746
local terms energy: -73.333034
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -233.165592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.165592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.165592 (E_RNA)
where:
Base-Base interactions energy: -154.749
where: short stacking energy: -70.090
Base-Backbone interact. energy: -0.283
local terms energy: -78.133348
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -228.292187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.292187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.292187 (E_RNA)
where:
Base-Base interactions energy: -161.892
where: short stacking energy: -62.230
Base-Backbone interact. energy: -0.195
local terms energy: -66.205895
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -223.515665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.515665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.515665 (E_RNA)
where:
Base-Base interactions energy: -155.791
where: short stacking energy: -63.764
Base-Backbone interact. energy: -0.143
local terms energy: -67.581142
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.066
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: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -97.444734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.444734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.444734 (E_RNA)
where:
Base-Base interactions energy: -38.547
where: short stacking energy: -38.308
Base-Backbone interact. energy: 1.733
local terms energy: -60.630707
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -96.529942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529942 (E_RNA)
where:
Base-Base interactions energy: -45.564
where: short stacking energy: -41.614
Base-Backbone interact. energy: 1.086
local terms energy: -52.051982
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -81.580773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.580773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.580773 (E_RNA)
where:
Base-Base interactions energy: -43.309
where: short stacking energy: -26.551
Base-Backbone interact. energy: -0.133
local terms energy: -38.138728
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -4.081
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: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -86.478830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.478830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.478830 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.493
local terms energy: -47.200192
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -246.375636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.375636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.375636 (E_RNA)
where:
Base-Base interactions energy: -164.710
where: short stacking energy: -76.884
Base-Backbone interact. energy: -0.667
local terms energy: -80.998316
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -242.136164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.136164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.136164 (E_RNA)
where:
Base-Base interactions energy: -172.544
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.276
local terms energy: -69.316257
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -13.192
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -234.927185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.927185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.927185 (E_RNA)
where:
Base-Base interactions energy: -158.171
where: short stacking energy: -70.478
Base-Backbone interact. energy: -0.339
local terms energy: -76.416915
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -236.688793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.688793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.688793 (E_RNA)
where:
Base-Base interactions energy: -156.407
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.003
local terms energy: -80.278201
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -9.249
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: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -227.311378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311378 (E_RNA)
where:
Base-Base interactions energy: -160.129
where: short stacking energy: -67.448
Base-Backbone interact. energy: -0.203
local terms energy: -66.979438
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -11.587
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: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -216.197207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.197207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.197207 (E_RNA)
where:
Base-Base interactions energy: -149.668
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.339
local terms energy: -66.190489
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -99.629389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.629389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.629389 (E_RNA)
where:
Base-Base interactions energy: -43.254
where: short stacking energy: -39.217
Base-Backbone interact. energy: 1.077
local terms energy: -57.452122
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -95.955927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.955927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.955927 (E_RNA)
where:
Base-Base interactions energy: -41.982
where: short stacking energy: -39.950
Base-Backbone interact. energy: -0.023
local terms energy: -53.951399
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -7.833
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: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -80.735203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.735203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.735203 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -23.769
Base-Backbone interact. energy: -0.281
local terms energy: -49.914435
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -1.083
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: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -77.513760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.513760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.513760 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -24.129
Base-Backbone interact. energy: -0.350
local terms energy: -41.755281
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -7.146
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: 0.110
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: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -240.353199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.353199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.353199 (E_RNA)
where:
Base-Base interactions energy: -158.929
where: short stacking energy: -69.497
Base-Backbone interact. energy: -0.325
local terms energy: -81.099196
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.964
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: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -240.568526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.568526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.568526 (E_RNA)
where:
Base-Base interactions energy: -166.140
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.795
local terms energy: -73.633130
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -7.404
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: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -234.726973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.726973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.726973 (E_RNA)
where:
Base-Base interactions energy: -163.246
where: short stacking energy: -72.864
Base-Backbone interact. energy: -0.219
local terms energy: -71.262825
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -9.368
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: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -233.798519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.798519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.798519 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -73.794
Base-Backbone interact. energy: -0.108
local terms energy: -77.136331
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -216.224216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.224216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.224216 (E_RNA)
where:
Base-Base interactions energy: -151.935
where: short stacking energy: -62.738
Base-Backbone interact. energy: 1.952
local terms energy: -66.241065
where:
bonds (distance) C4'-P energy: -7.413
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -220.455985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.455985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.455985 (E_RNA)
where:
Base-Base interactions energy: -152.115
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.813
local terms energy: -67.527986
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -115.621964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.621964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.621964 (E_RNA)
where:
Base-Base interactions energy: -52.239
where: short stacking energy: -32.707
Base-Backbone interact. energy: -0.226
local terms energy: -63.157464
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.482
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: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -104.385421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.385421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.385421 (E_RNA)
where:
Base-Base interactions energy: -41.160
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.053
local terms energy: -63.171513
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -90.214119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.214119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.214119 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -23.993
Base-Backbone interact. energy: -0.106
local terms energy: -56.798644
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -9.272
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: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -82.857055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.857055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.857055 (E_RNA)
where:
Base-Base interactions energy: -30.983
where: short stacking energy: -30.983
Base-Backbone interact. energy: -0.420
local terms energy: -51.453941
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -250.397107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.397107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.397107 (E_RNA)
where:
Base-Base interactions energy: -171.522
where: short stacking energy: -72.132
Base-Backbone interact. energy: 1.101
local terms energy: -79.976638
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -238.875752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.875752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.875752 (E_RNA)
where:
Base-Base interactions energy: -166.719
where: short stacking energy: -70.394
Base-Backbone interact. energy: -0.609
local terms energy: -71.548552
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -226.635922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.635922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.635922 (E_RNA)
where:
Base-Base interactions energy: -153.108
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.330
local terms energy: -73.197377
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -236.098731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.098731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.098731 (E_RNA)
where:
Base-Base interactions energy: -159.942
where: short stacking energy: -62.614
Base-Backbone interact. energy: -0.319
local terms energy: -75.838107
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -228.234389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.234389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.234389 (E_RNA)
where:
Base-Base interactions energy: -153.183
where: short stacking energy: -67.214
Base-Backbone interact. energy: -1.505
local terms energy: -73.546103
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -220.521176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.521176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.521176 (E_RNA)
where:
Base-Base interactions energy: -151.557
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.503
local terms energy: -68.461626
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -0.705
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: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -106.044660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.044660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.044660 (E_RNA)
where:
Base-Base interactions energy: -52.906
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.265
local terms energy: -52.873868
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.545
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: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -97.786815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.786815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.786815 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -40.233
Base-Backbone interact. energy: -0.060
local terms energy: -57.494163
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -5.994
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: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -82.877101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.877101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.877101 (E_RNA)
where:
Base-Base interactions energy: -32.362
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.309
local terms energy: -50.206658
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -85.121119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.121119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.121119 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -33.312
Base-Backbone interact. energy: -0.111
local terms energy: -51.697710
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -250.741994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.741994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.741994 (E_RNA)
where:
Base-Base interactions energy: -174.291
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.259
local terms energy: -76.192210
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -252.874387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.874387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.874387 (E_RNA)
where:
Base-Base interactions energy: -182.819
where: short stacking energy: -79.584
Base-Backbone interact. energy: -0.430
local terms energy: -69.625498
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.386
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: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -239.551931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.551931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.551931 (E_RNA)
where:
Base-Base interactions energy: -156.693
where: short stacking energy: -65.346
Base-Backbone interact. energy: -1.220
local terms energy: -81.639021
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.330
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: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -237.298696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.298696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.298696 (E_RNA)
where:
Base-Base interactions energy: -160.772
where: short stacking energy: -68.798
Base-Backbone interact. energy: 0.284
local terms energy: -76.810686
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -230.721203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.721203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.721203 (E_RNA)
where:
Base-Base interactions energy: -158.806
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.104
local terms energy: -71.811858
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -224.588214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.588214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.588214 (E_RNA)
where:
Base-Base interactions energy: -149.803
where: short stacking energy: -66.615
Base-Backbone interact. energy: -0.472
local terms energy: -74.313201
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -99.648476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.648476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.648476 (E_RNA)
where:
Base-Base interactions energy: -54.497
where: short stacking energy: -40.388
Base-Backbone interact. energy: -0.254
local terms energy: -44.896826
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -86.564362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.564362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.564362 (E_RNA)
where:
Base-Base interactions energy: -42.346
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.441
local terms energy: -43.777833
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: 2.619
tors. eta vs tors. theta energy: -2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -87.700977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700977 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.018
local terms energy: -50.281092
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -79.831599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.831599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.831599 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -18.498
Base-Backbone interact. energy: -0.111
local terms energy: -51.470301
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: 2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -252.807830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.807830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.807830 (E_RNA)
where:
Base-Base interactions energy: -170.980
where: short stacking energy: -70.093
Base-Backbone interact. energy: -1.348
local terms energy: -80.479573
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -14.027
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: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -246.655117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.655117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.655117 (E_RNA)
where:
Base-Base interactions energy: -164.635
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.503
local terms energy: -81.516759
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -14.325
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: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -222.271814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.271814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.271814 (E_RNA)
where:
Base-Base interactions energy: -144.528
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.248
local terms energy: -77.496179
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -233.390551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.390551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.390551 (E_RNA)
where:
Base-Base interactions energy: -167.384
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.367
local terms energy: -65.639466
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -234.718812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.718812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.718812 (E_RNA)
where:
Base-Base interactions energy: -159.812
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.410
local terms energy: -74.496940
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -229.802244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.802244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.802244 (E_RNA)
where:
Base-Base interactions energy: -155.260
where: short stacking energy: -72.356
Base-Backbone interact. energy: 0.470
local terms energy: -75.012168
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -17.609
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: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -106.942547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.942547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.942547 (E_RNA)
where:
Base-Base interactions energy: -46.550
where: short stacking energy: -24.709
Base-Backbone interact. energy: -0.201
local terms energy: -60.191480
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -104.405041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.405041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.405041 (E_RNA)
where:
Base-Base interactions energy: -43.476
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.128
local terms energy: -60.801288
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -89.009539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.009539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.009539 (E_RNA)
where:
Base-Base interactions energy: -47.057
where: short stacking energy: -33.869
Base-Backbone interact. energy: 1.775
local terms energy: -43.727212
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -83.570794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.570794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.570794 (E_RNA)
where:
Base-Base interactions energy: -31.973
where: short stacking energy: -31.973
Base-Backbone interact. energy: 0.256
local terms energy: -51.853907
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -251.860815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.860815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.860815 (E_RNA)
where:
Base-Base interactions energy: -175.494
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.079
local terms energy: -76.287778
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -13.326
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: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -229.959074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.959074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.959074 (E_RNA)
where:
Base-Base interactions energy: -154.057
where: short stacking energy: -54.704
Base-Backbone interact. energy: -0.162
local terms energy: -75.740398
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -229.725029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.725029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.725029 (E_RNA)
where:
Base-Base interactions energy: -149.752
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.306
local terms energy: -79.666852
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -225.966270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.966270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.966270 (E_RNA)
where:
Base-Base interactions energy: -153.298
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.321
local terms energy: -72.347498
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -188.362556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.362556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.362556 (E_RNA)
where:
Base-Base interactions energy: -120.813
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.374
local terms energy: -67.175169
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -231.244229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.244229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.244229 (E_RNA)
where:
Base-Base interactions energy: -161.866
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.629
local terms energy: -68.748770
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -84.375344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.375344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.375344 (E_RNA)
where:
Base-Base interactions energy: -27.871
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.086
local terms energy: -56.418216
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -94.002746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.002746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.002746 (E_RNA)
where:
Base-Base interactions energy: -37.704
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.125
local terms energy: -56.173555
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -10.550
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: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -82.631090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.631090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.631090 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -27.558
Base-Backbone interact. energy: -0.311
local terms energy: -46.650540
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -84.373508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.373508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.373508 (E_RNA)
where:
Base-Base interactions energy: -27.352
where: short stacking energy: -24.358
Base-Backbone interact. energy: -0.174
local terms energy: -56.847101
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -262.429957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.429957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.429957 (E_RNA)
where:
Base-Base interactions energy: -190.937
where: short stacking energy: -67.284
Base-Backbone interact. energy: -0.762
local terms energy: -70.730754
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -248.174686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.174686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.174686 (E_RNA)
where:
Base-Base interactions energy: -173.103
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.388
local terms energy: -74.683177
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -8.597
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: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -228.849829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.849829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.849829 (E_RNA)
where:
Base-Base interactions energy: -151.727
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.241
local terms energy: -76.882002
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -231.654681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.654681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.654681 (E_RNA)
where:
Base-Base interactions energy: -164.481
where: short stacking energy: -70.575
Base-Backbone interact. energy: -0.172
local terms energy: -67.002227
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -201.623967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.623967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.623967 (E_RNA)
where:
Base-Base interactions energy: -133.578
where: short stacking energy: -56.231
Base-Backbone interact. energy: -0.175
local terms energy: -67.870877
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -219.584748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.584748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.584748 (E_RNA)
where:
Base-Base interactions energy: -151.351
where: short stacking energy: -57.311
Base-Backbone interact. energy: 0.097
local terms energy: -68.330893
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -103.716236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.716236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.716236 (E_RNA)
where:
Base-Base interactions energy: -45.685
where: short stacking energy: -45.660
Base-Backbone interact. energy: -0.029
local terms energy: -58.002926
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -97.566036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.566036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.566036 (E_RNA)
where:
Base-Base interactions energy: -43.492
where: short stacking energy: -37.268
Base-Backbone interact. energy: -0.264
local terms energy: -53.809961
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -6.083
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -86.960967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.960967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.960967 (E_RNA)
where:
Base-Base interactions energy: -37.564
where: short stacking energy: -30.324
Base-Backbone interact. energy: -0.319
local terms energy: -49.078649
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: 4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -87.006638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.006638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.006638 (E_RNA)
where:
Base-Base interactions energy: -32.353
where: short stacking energy: -32.353
Base-Backbone interact. energy: -0.082
local terms energy: -54.571551
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.395
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: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -263.702179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.702179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.702179 (E_RNA)
where:
Base-Base interactions energy: -188.460
where: short stacking energy: -72.795
Base-Backbone interact. energy: -1.373
local terms energy: -73.869552
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -12.274
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: 368
Temperature: 0.950000
Total energy: -254.002152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.002152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.002152 (E_RNA)
where:
Base-Base interactions energy: -177.941
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.189
local terms energy: -75.871969
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -241.787488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.787488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.787488 (E_RNA)
where:
Base-Base interactions energy: -165.841
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.400
local terms energy: -75.546212
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -233.047825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.047825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.047825 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -65.695
Base-Backbone interact. energy: -1.246
local terms energy: -77.313727
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -221.649168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.649168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.649168 (E_RNA)
where:
Base-Base interactions energy: -151.286
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.185
local terms energy: -70.178142
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -191.755923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.755923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.755923 (E_RNA)
where:
Base-Base interactions energy: -127.355
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.662
local terms energy: -63.739634
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -97.441716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.441716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.441716 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -39.397
Base-Backbone interact. energy: 0.104
local terms energy: -56.243953
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -5.635
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: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -90.752046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.752046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.752046 (E_RNA)
where:
Base-Base interactions energy: -40.378
where: short stacking energy: -35.820
Base-Backbone interact. energy: -0.257
local terms energy: -50.117618
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -92.275899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275899 (E_RNA)
where:
Base-Base interactions energy: -36.871
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.152
local terms energy: -55.253116
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -5.526
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: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -78.720331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.720331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.720331 (E_RNA)
where:
Base-Base interactions energy: -21.910
where: short stacking energy: -20.588
Base-Backbone interact. energy: -0.080
local terms energy: -56.730432
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -0.411
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: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -272.805480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.805480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.805480 (E_RNA)
where:
Base-Base interactions energy: -194.866
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.302
local terms energy: -77.637983
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -240.273505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.273505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.273505 (E_RNA)
where:
Base-Base interactions energy: -164.922
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.107
local terms energy: -75.244423
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -250.894682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.894682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.894682 (E_RNA)
where:
Base-Base interactions energy: -170.780
where: short stacking energy: -71.423
Base-Backbone interact. energy: -0.222
local terms energy: -79.892906
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -223.554469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.554469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.554469 (E_RNA)
where:
Base-Base interactions energy: -152.180
where: short stacking energy: -57.341
Base-Backbone interact. energy: -0.230
local terms energy: -71.144297
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -13.564
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: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -238.252315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.252315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.252315 (E_RNA)
where:
Base-Base interactions energy: -167.176
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.219
local terms energy: -70.856894
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -188.807971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.807971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.807971 (E_RNA)
where:
Base-Base interactions energy: -114.836
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.634
local terms energy: -73.337914
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -97.500423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.500423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.500423 (E_RNA)
where:
Base-Base interactions energy: -40.366
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.102
local terms energy: -57.031897
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -93.514675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.514675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.514675 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.121
local terms energy: -57.011119
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -10.394
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: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -95.130475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.130475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.130475 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -30.650
Base-Backbone interact. energy: -0.357
local terms energy: -64.223854
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -84.207432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207432 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -31.790
Base-Backbone interact. energy: 0.289
local terms energy: -52.705646
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -266.072358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.072358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.072358 (E_RNA)
where:
Base-Base interactions energy: -187.859
where: short stacking energy: -64.425
Base-Backbone interact. energy: -1.367
local terms energy: -76.847343
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -243.430752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.430752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.430752 (E_RNA)
where:
Base-Base interactions energy: -161.628
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.400
local terms energy: -81.402652
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -13.784
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: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -231.781124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.781124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.781124 (E_RNA)
where:
Base-Base interactions energy: -151.879
where: short stacking energy: -73.043
Base-Backbone interact. energy: 0.094
local terms energy: -79.996707
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -237.200595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.200595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.200595 (E_RNA)
where:
Base-Base interactions energy: -166.511
where: short stacking energy: -68.554
Base-Backbone interact. energy: -0.320
local terms energy: -70.369180
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -226.396108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.396108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.396108 (E_RNA)
where:
Base-Base interactions energy: -157.513
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.508
local terms energy: -68.375396
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -193.862580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.862580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.862580 (E_RNA)
where:
Base-Base interactions energy: -140.310
where: short stacking energy: -63.190
Base-Backbone interact. energy: 1.193
local terms energy: -54.745478
where:
bonds (distance) C4'-P energy: -4.003
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.809
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: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -100.811867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.811867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.811867 (E_RNA)
where:
Base-Base interactions energy: -42.295
where: short stacking energy: -40.930
Base-Backbone interact. energy: -0.217
local terms energy: -58.300051
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -90.946052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.946052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.946052 (E_RNA)
where:
Base-Base interactions energy: -34.778
where: short stacking energy: -29.332
Base-Backbone interact. energy: -0.246
local terms energy: -55.921921
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -90.279392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.279392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.279392 (E_RNA)
where:
Base-Base interactions energy: -33.954
where: short stacking energy: -33.954
Base-Backbone interact. energy: -0.314
local terms energy: -56.011458
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -92.703651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.703651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.703651 (E_RNA)
where:
Base-Base interactions energy: -43.696
where: short stacking energy: -38.387
Base-Backbone interact. energy: -0.752
local terms energy: -48.255699
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -252.154342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.154342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.154342 (E_RNA)
where:
Base-Base interactions energy: -178.465
where: short stacking energy: -73.387
Base-Backbone interact. energy: -0.137
local terms energy: -73.552688
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.887
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: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -241.786393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.786393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.786393 (E_RNA)
where:
Base-Base interactions energy: -168.078
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.996
local terms energy: -72.712302
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -229.896900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.896900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.896900 (E_RNA)
where:
Base-Base interactions energy: -160.152
where: short stacking energy: -72.227
Base-Backbone interact. energy: -0.268
local terms energy: -69.477212
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -232.528298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.528298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.528298 (E_RNA)
where:
Base-Base interactions energy: -162.642
where: short stacking energy: -66.827
Base-Backbone interact. energy: -0.437
local terms energy: -69.450065
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -224.540164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.540164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.540164 (E_RNA)
where:
Base-Base interactions energy: -148.292
where: short stacking energy: -65.786
Base-Backbone interact. energy: -0.472
local terms energy: -75.776822
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -165.805899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.805899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.805899 (E_RNA)
where:
Base-Base interactions energy: -97.409
where: short stacking energy: -52.847
Base-Backbone interact. energy: 0.642
local terms energy: -69.038822
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -115.940005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.940005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.940005 (E_RNA)
where:
Base-Base interactions energy: -53.253
where: short stacking energy: -34.900
Base-Backbone interact. energy: -0.222
local terms energy: -62.464489
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -104.349222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.349222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.349222 (E_RNA)
where:
Base-Base interactions energy: -52.784
where: short stacking energy: -40.790
Base-Backbone interact. energy: 2.502
local terms energy: -54.067130
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -7.836
flat angles P-C4'-P energy: -10.430
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: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -90.145140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.145140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.145140 (E_RNA)
where:
Base-Base interactions energy: -32.059
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.011
local terms energy: -58.074940
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -82.184591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184591 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -30.804
Base-Backbone interact. energy: -0.774
local terms energy: -48.955192
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.964
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: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -249.420899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.420899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.420899 (E_RNA)
where:
Base-Base interactions energy: -172.331
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.059
local terms energy: -77.031569
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.382
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -238.790467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.790467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.790467 (E_RNA)
where:
Base-Base interactions energy: -159.319
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.343
local terms energy: -79.128680
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -228.668917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.668917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.668917 (E_RNA)
where:
Base-Base interactions energy: -153.269
where: short stacking energy: -50.900
Base-Backbone interact. energy: -1.514
local terms energy: -73.886211
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -12.948
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: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -222.346761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.346761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.346761 (E_RNA)
where:
Base-Base interactions energy: -157.272
where: short stacking energy: -58.704
Base-Backbone interact. energy: 0.442
local terms energy: -65.517154
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -12.995
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: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -244.399902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.399902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.399902 (E_RNA)
where:
Base-Base interactions energy: -181.685
where: short stacking energy: -69.712
Base-Backbone interact. energy: -0.212
local terms energy: -62.502269
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -15.155
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: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -182.128711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.128711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.128711 (E_RNA)
where:
Base-Base interactions energy: -126.076
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.042
local terms energy: -56.010933
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -3.900
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: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -108.340043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.340043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.340043 (E_RNA)
where:
Base-Base interactions energy: -49.890
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.091
local terms energy: -58.359872
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -93.542763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542763 (E_RNA)
where:
Base-Base interactions energy: -40.392
where: short stacking energy: -37.746
Base-Backbone interact. energy: -0.053
local terms energy: -53.098281
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -90.614058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.614058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.614058 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.336
local terms energy: -57.260926
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -7.333
flat angles P-C4'-P energy: -11.707
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: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -96.255285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.255285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.255285 (E_RNA)
where:
Base-Base interactions energy: -37.224
where: short stacking energy: -32.323
Base-Backbone interact. energy: -0.318
local terms energy: -58.713654
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -249.773127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.773127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.773127 (E_RNA)
where:
Base-Base interactions energy: -179.483
where: short stacking energy: -69.475
Base-Backbone interact. energy: 0.354
local terms energy: -70.644536
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -8.844
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: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -238.100844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.100844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.100844 (E_RNA)
where:
Base-Base interactions energy: -166.879
where: short stacking energy: -68.156
Base-Backbone interact. energy: 0.024
local terms energy: -71.246425
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -14.804
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: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -239.513079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.513079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.513079 (E_RNA)
where:
Base-Base interactions energy: -165.589
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.242
local terms energy: -73.682637
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -236.199077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.199077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.199077 (E_RNA)
where:
Base-Base interactions energy: -167.880
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.398
local terms energy: -67.921632
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -238.658758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.658758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.658758 (E_RNA)
where:
Base-Base interactions energy: -164.188
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.241
local terms energy: -74.229018
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -181.194005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.194005 (E_RNA)
where:
Base-Base interactions energy: -115.801
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.013
local terms energy: -65.379626
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.063
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: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -95.770956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.770956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.770956 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.084
local terms energy: -63.610001
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -1.411
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: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -95.747803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.747803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.747803 (E_RNA)
where:
Base-Base interactions energy: -41.956
where: short stacking energy: -41.956
Base-Backbone interact. energy: -0.188
local terms energy: -53.604353
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -100.547586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.547586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.547586 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -39.975
Base-Backbone interact. energy: -0.643
local terms energy: -52.871576
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -84.960270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.960270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.960270 (E_RNA)
where:
Base-Base interactions energy: -34.703
where: short stacking energy: -29.198
Base-Backbone interact. energy: -0.140
local terms energy: -50.118061
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -237.545353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.545353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.545353 (E_RNA)
where:
Base-Base interactions energy: -156.596
where: short stacking energy: -71.524
Base-Backbone interact. energy: -0.172
local terms energy: -80.777482
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -13.249
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: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -244.468279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.468279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.468279 (E_RNA)
where:
Base-Base interactions energy: -164.810
where: short stacking energy: -64.876
Base-Backbone interact. energy: -0.191
local terms energy: -79.467031
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -240.287378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.287378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.287378 (E_RNA)
where:
Base-Base interactions energy: -165.967
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.327
local terms energy: -73.993735
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -221.641596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.641596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641596 (E_RNA)
where:
Base-Base interactions energy: -145.116
where: short stacking energy: -62.089
Base-Backbone interact. energy: -0.310
local terms energy: -76.215545
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -226.718378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.718378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.718378 (E_RNA)
where:
Base-Base interactions energy: -152.578
where: short stacking energy: -56.544
Base-Backbone interact. energy: -0.217
local terms energy: -73.923723
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -175.252966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.252966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.252966 (E_RNA)
where:
Base-Base interactions energy: -105.793
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.091
local terms energy: -69.369465
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -11.150
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: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -108.073863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.073863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.073863 (E_RNA)
where:
Base-Base interactions energy: -58.087
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.006
local terms energy: -49.981679
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -148.163170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.163170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.163170 (E_RNA)
where:
Base-Base interactions energy: -83.157
where: short stacking energy: -38.199
Base-Backbone interact. energy: 5.169
local terms energy: -70.175750
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -90.637763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.637763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.637763 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.116
local terms energy: -56.577820
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -89.844586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.844586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.844586 (E_RNA)
where:
Base-Base interactions energy: -38.444
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.044
local terms energy: -51.357361
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -11.579
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: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -239.298108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.298108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.298108 (E_RNA)
where:
Base-Base interactions energy: -153.840
where: short stacking energy: -67.197
Base-Backbone interact. energy: -0.231
local terms energy: -85.227098
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -11.478
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: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -245.476297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.476297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.476297 (E_RNA)
where:
Base-Base interactions energy: -174.698
where: short stacking energy: -66.881
Base-Backbone interact. energy: -0.306
local terms energy: -70.472366
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -228.407968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.407968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.407968 (E_RNA)
where:
Base-Base interactions energy: -157.432
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.418
local terms energy: -70.557674
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -7.665
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: 4, replica: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -232.937811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.937811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.937811 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.373
local terms energy: -77.881006
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -216.517942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.517942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.517942 (E_RNA)
where:
Base-Base interactions energy: -154.125
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.317
local terms energy: -62.076039
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -171.259433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.259433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.259433 (E_RNA)
where:
Base-Base interactions energy: -104.761
where: short stacking energy: -51.991
Base-Backbone interact. energy: -0.299
local terms energy: -66.199066
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -10.244
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: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -112.353454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.353454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.353454 (E_RNA)
where:
Base-Base interactions energy: -56.207
where: short stacking energy: -50.424
Base-Backbone interact. energy: -0.047
local terms energy: -56.099530
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -134.236185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.236185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.236185 (E_RNA)
where:
Base-Base interactions energy: -75.538
where: short stacking energy: -26.928
Base-Backbone interact. energy: -0.335
local terms energy: -58.363229
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -90.049625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.049625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.049625 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -24.217
Base-Backbone interact. energy: -0.055
local terms energy: -55.324836
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.879
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: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -78.775253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.775253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.775253 (E_RNA)
where:
Base-Base interactions energy: -34.472
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.108
local terms energy: -44.194569
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -243.874978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.874978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.874978 (E_RNA)
where:
Base-Base interactions energy: -165.584
where: short stacking energy: -71.989
Base-Backbone interact. energy: 0.567
local terms energy: -78.857792
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -237.578348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.578348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.578348 (E_RNA)
where:
Base-Base interactions energy: -166.613
where: short stacking energy: -70.777
Base-Backbone interact. energy: -0.554
local terms energy: -70.412149
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -11.539
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: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -225.362089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.362089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.362089 (E_RNA)
where:
Base-Base interactions energy: -150.893
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.279
local terms energy: -74.190859
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -14.251
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: 4, replica: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -226.174095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.174095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.174095 (E_RNA)
where:
Base-Base interactions energy: -158.896
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.325
local terms energy: -66.953114
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -222.082651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.082651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.082651 (E_RNA)
where:
Base-Base interactions energy: -148.113
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.212
local terms energy: -73.757376
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -20.896
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: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -177.926932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.926932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.926932 (E_RNA)
where:
Base-Base interactions energy: -110.707
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.040
local terms energy: -67.179157
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -91.703605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.703605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.703605 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -32.173
Base-Backbone interact. energy: -0.234
local terms energy: -57.478512
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -97.709925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.709925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.709925 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -36.120
Base-Backbone interact. energy: -0.105
local terms energy: -57.017232
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -87.301567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.301567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.301567 (E_RNA)
where:
Base-Base interactions energy: -33.171
where: short stacking energy: -28.083
Base-Backbone interact. energy: -0.210
local terms energy: -53.920544
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -81.603936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.603936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.603936 (E_RNA)
where:
Base-Base interactions energy: -31.585
where: short stacking energy: -29.099
Base-Backbone interact. energy: -0.044
local terms energy: -49.975276
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -243.384630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.384630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.384630 (E_RNA)
where:
Base-Base interactions energy: -164.338
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.505
local terms energy: -78.541510
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -246.040757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.040757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.040757 (E_RNA)
where:
Base-Base interactions energy: -163.329
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.600
local terms energy: -82.111993
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -13.374
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: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -225.121112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.121112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.121112 (E_RNA)
where:
Base-Base interactions energy: -160.399
where: short stacking energy: -56.677
Base-Backbone interact. energy: -1.354
local terms energy: -63.368189
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -231.076309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.076309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.076309 (E_RNA)
where:
Base-Base interactions energy: -160.605
where: short stacking energy: -67.624
Base-Backbone interact. energy: 0.699
local terms energy: -71.170148
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -12.046
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: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -224.241816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.241816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.241816 (E_RNA)
where:
Base-Base interactions energy: -147.033
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.239
local terms energy: -76.970592
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -187.000190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.000190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.000190 (E_RNA)
where:
Base-Base interactions energy: -118.400
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.004
local terms energy: -68.596164
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -2.985
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: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -118.142104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.142104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.142104 (E_RNA)
where:
Base-Base interactions energy: -53.791
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.925
local terms energy: -63.425940
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -10.226
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: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -92.024430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.024430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.024430 (E_RNA)
where:
Base-Base interactions energy: -42.930
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.251
local terms energy: -48.843621
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -112.950450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.950450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.950450 (E_RNA)
where:
Base-Base interactions energy: -62.834
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.204
local terms energy: -49.912839
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -81.406470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.406470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.406470 (E_RNA)
where:
Base-Base interactions energy: -38.931
where: short stacking energy: -36.873
Base-Backbone interact. energy: -0.188
local terms energy: -42.287124
where:
bonds (distance) C4'-P energy: -7.129
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -240.229608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.229608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.229608 (E_RNA)
where:
Base-Base interactions energy: -159.659
where: short stacking energy: -65.307
Base-Backbone interact. energy: -0.271
local terms energy: -80.300052
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -235.403486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.403486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.403486 (E_RNA)
where:
Base-Base interactions energy: -155.473
where: short stacking energy: -67.899
Base-Backbone interact. energy: -0.255
local terms energy: -79.675282
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -242.172509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.172509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.172509 (E_RNA)
where:
Base-Base interactions energy: -167.917
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.765
local terms energy: -73.490184
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -223.867995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.867995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.867995 (E_RNA)
where:
Base-Base interactions energy: -154.219
where: short stacking energy: -51.034
Base-Backbone interact. energy: -1.299
local terms energy: -68.350085
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -229.801317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.801317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.801317 (E_RNA)
where:
Base-Base interactions energy: -160.543
where: short stacking energy: -71.250
Base-Backbone interact. energy: -0.231
local terms energy: -69.027137
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -184.986822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.986822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.986822 (E_RNA)
where:
Base-Base interactions energy: -114.753
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.001
local terms energy: -70.232331
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -106.291533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.291533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.291533 (E_RNA)
where:
Base-Base interactions energy: -53.880
where: short stacking energy: -45.779
Base-Backbone interact. energy: -1.364
local terms energy: -51.047876
where:
bonds (distance) C4'-P energy: -6.569
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -86.483286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.483286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.483286 (E_RNA)
where:
Base-Base interactions energy: -35.834
where: short stacking energy: -35.834
Base-Backbone interact. energy: -0.174
local terms energy: -50.475395
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -89.862331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.862331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.862331 (E_RNA)
where:
Base-Base interactions energy: -35.883
where: short stacking energy: -34.003
Base-Backbone interact. energy: -0.175
local terms energy: -53.803859
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -79.045772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.045772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.045772 (E_RNA)
where:
Base-Base interactions energy: -29.847
where: short stacking energy: -28.472
Base-Backbone interact. energy: -1.286
local terms energy: -47.912919
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -243.388998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.388998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.388998 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -69.950
Base-Backbone interact. energy: -2.573
local terms energy: -83.801448
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -22.947
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: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -237.741489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.741489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.741489 (E_RNA)
where:
Base-Base interactions energy: -162.734
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.381
local terms energy: -74.626875
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -15.816
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: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -228.397995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.397995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.397995 (E_RNA)
where:
Base-Base interactions energy: -155.376
where: short stacking energy: -68.159
Base-Backbone interact. energy: -0.524
local terms energy: -72.498672
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -222.809375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.809375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.809375 (E_RNA)
where:
Base-Base interactions energy: -157.310
where: short stacking energy: -65.781
Base-Backbone interact. energy: 3.661
local terms energy: -69.161102
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -11.712
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: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -223.652027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.652027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.652027 (E_RNA)
where:
Base-Base interactions energy: -145.282
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.154
local terms energy: -78.215720
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -183.577278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.577278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.577278 (E_RNA)
where:
Base-Base interactions energy: -107.772
where: short stacking energy: -52.387
Base-Backbone interact. energy: -0.306
local terms energy: -75.499160
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -104.077693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.077693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.077693 (E_RNA)
where:
Base-Base interactions energy: -43.828
where: short stacking energy: -36.331
Base-Backbone interact. energy: -0.276
local terms energy: -59.974205
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -98.316549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.316549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.316549 (E_RNA)
where:
Base-Base interactions energy: -52.688
where: short stacking energy: -48.417
Base-Backbone interact. energy: 0.090
local terms energy: -45.718516
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: 1.009
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -86.518635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.518635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.518635 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -29.854
Base-Backbone interact. energy: 0.856
local terms energy: -52.982215
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -78.377529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.377529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.377529 (E_RNA)
where:
Base-Base interactions energy: -29.134
where: short stacking energy: -20.526
Base-Backbone interact. energy: -0.189
local terms energy: -49.054579
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -243.599804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.599804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.599804 (E_RNA)
where:
Base-Base interactions energy: -162.433
where: short stacking energy: -68.032
Base-Backbone interact. energy: 0.711
local terms energy: -81.877793
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.005
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: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -249.361464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.361464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.361464 (E_RNA)
where:
Base-Base interactions energy: -165.732
where: short stacking energy: -68.488
Base-Backbone interact. energy: 1.417
local terms energy: -85.045916
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -20.838
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: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -234.689085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.689085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.689085 (E_RNA)
where:
Base-Base interactions energy: -162.125
where: short stacking energy: -66.802
Base-Backbone interact. energy: -0.230
local terms energy: -72.334908
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -235.499577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.499577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.499577 (E_RNA)
where:
Base-Base interactions energy: -157.809
where: short stacking energy: -67.923
Base-Backbone interact. energy: -0.530
local terms energy: -77.160925
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -22.247
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: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -227.083957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.083957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.083957 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.203
local terms energy: -74.909331
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -191.909179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.909179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.909179 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -61.842
Base-Backbone interact. energy: 0.054
local terms energy: -65.715023
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -14.996
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: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -108.597857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.597857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.597857 (E_RNA)
where:
Base-Base interactions energy: -48.850
where: short stacking energy: -38.844
Base-Backbone interact. energy: 0.205
local terms energy: -59.952587
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -103.447562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.447562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.447562 (E_RNA)
where:
Base-Base interactions energy: -50.096
where: short stacking energy: -40.125
Base-Backbone interact. energy: -0.374
local terms energy: -52.977446
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -7.636
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: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -84.083433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.083433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.083433 (E_RNA)
where:
Base-Base interactions energy: -40.194
where: short stacking energy: -27.352
Base-Backbone interact. energy: 0.840
local terms energy: -44.728904
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -83.056062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.056062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.056062 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -35.708
Base-Backbone interact. energy: 2.525
local terms energy: -49.872800
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -261.586716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.586716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.586716 (E_RNA)
where:
Base-Base interactions energy: -178.567
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.635
local terms energy: -82.384338
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -12.835
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: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -249.619879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.619879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.619879 (E_RNA)
where:
Base-Base interactions energy: -173.814
where: short stacking energy: -75.240
Base-Backbone interact. energy: -0.212
local terms energy: -75.593133
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -230.209963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.209963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.209963 (E_RNA)
where:
Base-Base interactions energy: -158.708
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.284
local terms energy: -71.218172
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -241.897951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.897951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.897951 (E_RNA)
where:
Base-Base interactions energy: -166.366
where: short stacking energy: -63.559
Base-Backbone interact. energy: -0.146
local terms energy: -75.386393
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -231.564013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.564013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.564013 (E_RNA)
where:
Base-Base interactions energy: -155.227
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.476
local terms energy: -75.860651
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.221
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: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -187.764307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.764307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.764307 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -55.798
Base-Backbone interact. energy: -0.061
local terms energy: -63.644351
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -109.466051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.466051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.466051 (E_RNA)
where:
Base-Base interactions energy: -50.879
where: short stacking energy: -39.773
Base-Backbone interact. energy: 0.619
local terms energy: -59.205815
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -92.873231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873231 (E_RNA)
where:
Base-Base interactions energy: -39.795
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.297
local terms energy: -52.781992
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -8.983
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: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -88.525866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.525866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.525866 (E_RNA)
where:
Base-Base interactions energy: -36.401
where: short stacking energy: -36.401
Base-Backbone interact. energy: -0.069
local terms energy: -52.055555
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -6.682
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -7.862
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: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -85.572395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.572395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.572395 (E_RNA)
where:
Base-Base interactions energy: -40.547
where: short stacking energy: -28.833
Base-Backbone interact. energy: 1.518
local terms energy: -46.543309
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -256.730339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.730339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.730339 (E_RNA)
where:
Base-Base interactions energy: -172.119
where: short stacking energy: -75.942
Base-Backbone interact. energy: -0.211
local terms energy: -84.400115
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -252.957431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.957431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.957431 (E_RNA)
where:
Base-Base interactions energy: -175.911
where: short stacking energy: -70.462
Base-Backbone interact. energy: -0.618
local terms energy: -76.427849
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -20.538
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: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -251.744194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.744194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.744194 (E_RNA)
where:
Base-Base interactions energy: -175.230
where: short stacking energy: -78.153
Base-Backbone interact. energy: -0.375
local terms energy: -76.139939
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -228.444814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.444814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.444814 (E_RNA)
where:
Base-Base interactions energy: -150.068
where: short stacking energy: -67.660
Base-Backbone interact. energy: -1.059
local terms energy: -77.317950
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -238.105315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.105315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.105315 (E_RNA)
where:
Base-Base interactions energy: -157.862
where: short stacking energy: -71.696
Base-Backbone interact. energy: -0.197
local terms energy: -80.046692
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.302
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: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -188.283841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.283841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.283841 (E_RNA)
where:
Base-Base interactions energy: -112.028
where: short stacking energy: -49.703
Base-Backbone interact. energy: -0.118
local terms energy: -76.138382
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -116.465414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.465414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.465414 (E_RNA)
where:
Base-Base interactions energy: -65.353
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.488
local terms energy: -50.624568
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: 1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -90.466258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.466258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.466258 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -19.895
Base-Backbone interact. energy: -0.190
local terms energy: -54.034727
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -86.191022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.191022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.191022 (E_RNA)
where:
Base-Base interactions energy: -34.762
where: short stacking energy: -31.978
Base-Backbone interact. energy: -0.118
local terms energy: -51.310860
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: 1.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -85.861513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.861513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.861513 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.393
local terms energy: -50.913489
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -248.090360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.090360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.090360 (E_RNA)
where:
Base-Base interactions energy: -164.711
where: short stacking energy: -75.592
Base-Backbone interact. energy: -0.186
local terms energy: -83.193794
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -248.171967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.171967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.171967 (E_RNA)
where:
Base-Base interactions energy: -167.978
where: short stacking energy: -71.596
Base-Backbone interact. energy: -0.357
local terms energy: -79.836942
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -15.457
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: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -242.935689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.935689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.935689 (E_RNA)
where:
Base-Base interactions energy: -166.427
where: short stacking energy: -66.062
Base-Backbone interact. energy: -1.103
local terms energy: -75.405717
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -232.811974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.811974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.811974 (E_RNA)
where:
Base-Base interactions energy: -158.833
where: short stacking energy: -66.812
Base-Backbone interact. energy: 0.341
local terms energy: -74.320093
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -15.216
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: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -232.580732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.580732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.580732 (E_RNA)
where:
Base-Base interactions energy: -158.151
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.240
local terms energy: -74.190288
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -191.533369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.533369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.533369 (E_RNA)
where:
Base-Base interactions energy: -123.259
where: short stacking energy: -51.944
Base-Backbone interact. energy: -0.627
local terms energy: -67.647513
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -98.323771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.323771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.323771 (E_RNA)
where:
Base-Base interactions energy: -45.076
where: short stacking energy: -41.808
Base-Backbone interact. energy: 0.409
local terms energy: -53.656862
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -8.135
flat angles P-C4'-P energy: -11.954
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: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -91.846020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.846020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.846020 (E_RNA)
where:
Base-Base interactions energy: -38.329
where: short stacking energy: -34.465
Base-Backbone interact. energy: -0.206
local terms energy: -53.310591
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -5.360
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: 383
Temperature: 1.300000
Total energy: -96.184957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.184957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.184957 (E_RNA)
where:
Base-Base interactions energy: -48.632
where: short stacking energy: -14.569
Base-Backbone interact. energy: -0.219
local terms energy: -47.333741
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: 0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -87.784177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.784177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.784177 (E_RNA)
where:
Base-Base interactions energy: -32.362
where: short stacking energy: -30.784
Base-Backbone interact. energy: -1.282
local terms energy: -54.140367
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -253.931314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.931314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.931314 (E_RNA)
where:
Base-Base interactions energy: -176.624
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.200
local terms energy: -77.107239
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -241.252309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.252309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.252309 (E_RNA)
where:
Base-Base interactions energy: -165.034
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.258
local terms energy: -75.959753
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -246.774825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.774825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.774825 (E_RNA)
where:
Base-Base interactions energy: -168.880
where: short stacking energy: -71.294
Base-Backbone interact. energy: -0.177
local terms energy: -77.718225
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -13.324
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: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -243.124813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.124813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.124813 (E_RNA)
where:
Base-Base interactions energy: -179.292
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.783
local terms energy: -63.049906
where:
bonds (distance) C4'-P energy: -5.512
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -224.869806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.869806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.869806 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -69.748
Base-Backbone interact. energy: 0.128
local terms energy: -70.467500
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -191.624857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.624857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.624857 (E_RNA)
where:
Base-Base interactions energy: -119.832
where: short stacking energy: -65.471
Base-Backbone interact. energy: -0.219
local terms energy: -71.573295
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -113.913984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.913984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.913984 (E_RNA)
where:
Base-Base interactions energy: -56.086
where: short stacking energy: -44.073
Base-Backbone interact. energy: -0.091
local terms energy: -57.736888
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -87.887213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.887213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.887213 (E_RNA)
where:
Base-Base interactions energy: -39.921
where: short stacking energy: -35.328
Base-Backbone interact. energy: -0.062
local terms energy: -47.904984
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -7.979
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: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -86.771194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.771194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.771194 (E_RNA)
where:
Base-Base interactions energy: -38.465
where: short stacking energy: -24.904
Base-Backbone interact. energy: -0.574
local terms energy: -47.732266
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: 1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -99.569287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.569287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.569287 (E_RNA)
where:
Base-Base interactions energy: -42.026
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.262
local terms energy: -57.281568
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -247.600118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.600118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.600118 (E_RNA)
where:
Base-Base interactions energy: -170.296
where: short stacking energy: -68.418
Base-Backbone interact. energy: 0.249
local terms energy: -77.553375
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -247.404714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.404714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.404714 (E_RNA)
where:
Base-Base interactions energy: -178.890
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.131
local terms energy: -68.384303
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -17.519
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: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -232.837411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.837411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.837411 (E_RNA)
where:
Base-Base interactions energy: -164.040
where: short stacking energy: -71.286
Base-Backbone interact. energy: -0.219
local terms energy: -68.578737
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -241.055515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.055515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.055515 (E_RNA)
where:
Base-Base interactions energy: -162.858
where: short stacking energy: -62.618
Base-Backbone interact. energy: -0.255
local terms energy: -77.942866
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -226.648772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.648772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.648772 (E_RNA)
where:
Base-Base interactions energy: -158.276
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.133
local terms energy: -68.239210
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -14.972
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: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -177.512490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.512490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.512490 (E_RNA)
where:
Base-Base interactions energy: -111.346
where: short stacking energy: -48.563
Base-Backbone interact. energy: -0.190
local terms energy: -65.976399
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -114.991596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.991596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.991596 (E_RNA)
where:
Base-Base interactions energy: -49.953
where: short stacking energy: -42.162
Base-Backbone interact. energy: -0.137
local terms energy: -64.901188
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.004
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: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -94.321359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.321359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.321359 (E_RNA)
where:
Base-Base interactions energy: -37.595
where: short stacking energy: -31.143
Base-Backbone interact. energy: -0.068
local terms energy: -56.657797
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -7.995
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: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -98.412834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.412834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.412834 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.070
local terms energy: -57.723237
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -89.125769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.125769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.125769 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -26.122
Base-Backbone interact. energy: -0.169
local terms energy: -53.396432
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -248.281418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.281418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.281418 (E_RNA)
where:
Base-Base interactions energy: -168.605
where: short stacking energy: -71.965
Base-Backbone interact. energy: -0.134
local terms energy: -79.542799
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -11.477
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: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -254.458528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.458528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.458528 (E_RNA)
where:
Base-Base interactions energy: -175.086
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.226
local terms energy: -79.146624
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.085
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: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -236.549009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.549009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.549009 (E_RNA)
where:
Base-Base interactions energy: -165.835
where: short stacking energy: -60.413
Base-Backbone interact. energy: -0.648
local terms energy: -70.065746
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -13.814
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: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -230.899677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.899677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.899677 (E_RNA)
where:
Base-Base interactions energy: -153.236
where: short stacking energy: -69.724
Base-Backbone interact. energy: -0.167
local terms energy: -77.496023
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -214.630039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.630039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.630039 (E_RNA)
where:
Base-Base interactions energy: -145.731
where: short stacking energy: -64.511
Base-Backbone interact. energy: 0.293
local terms energy: -69.191394
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -13.456
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: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -155.702552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.702552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.702552 (E_RNA)
where:
Base-Base interactions energy: -96.196
where: short stacking energy: -56.621
Base-Backbone interact. energy: -0.092
local terms energy: -59.414688
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -91.907379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907379 (E_RNA)
where:
Base-Base interactions energy: -41.021
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.042
local terms energy: -50.844745
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -98.697334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.697334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.697334 (E_RNA)
where:
Base-Base interactions energy: -43.977
where: short stacking energy: -39.644
Base-Backbone interact. energy: -0.075
local terms energy: -54.644744
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -88.348496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.348496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.348496 (E_RNA)
where:
Base-Base interactions energy: -34.785
where: short stacking energy: -24.482
Base-Backbone interact. energy: -0.200
local terms energy: -53.363237
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -4.266
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: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -82.539595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.539595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.539595 (E_RNA)
where:
Base-Base interactions energy: -30.046
where: short stacking energy: -19.509
Base-Backbone interact. energy: 1.006
local terms energy: -53.499235
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -246.783498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.783498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.783498 (E_RNA)
where:
Base-Base interactions energy: -163.512
where: short stacking energy: -66.684
Base-Backbone interact. energy: 1.291
local terms energy: -84.562612
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -12.994
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: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -234.696213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.696213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.696213 (E_RNA)
where:
Base-Base interactions energy: -153.859
where: short stacking energy: -69.714
Base-Backbone interact. energy: 0.475
local terms energy: -81.312858
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -244.189558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.189558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.189558 (E_RNA)
where:
Base-Base interactions energy: -161.637
where: short stacking energy: -75.451
Base-Backbone interact. energy: -0.102
local terms energy: -82.450116
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -237.144966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.144966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.144966 (E_RNA)
where:
Base-Base interactions energy: -156.209
where: short stacking energy: -76.992
Base-Backbone interact. energy: -0.425
local terms energy: -80.510421
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -226.840044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.840044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.840044 (E_RNA)
where:
Base-Base interactions energy: -157.186
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.279
local terms energy: -69.374886
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -179.471888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.471888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.471888 (E_RNA)
where:
Base-Base interactions energy: -109.362
where: short stacking energy: -52.025
Base-Backbone interact. energy: -0.093
local terms energy: -70.016797
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -105.145037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.145037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.145037 (E_RNA)
where:
Base-Base interactions energy: -46.340
where: short stacking energy: -42.870
Base-Backbone interact. energy: 0.211
local terms energy: -59.016124
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -93.850719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.850719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.850719 (E_RNA)
where:
Base-Base interactions energy: -44.161
where: short stacking energy: -39.558
Base-Backbone interact. energy: -0.224
local terms energy: -49.465927
where:
bonds (distance) C4'-P energy: -7.171
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -9.049
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: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -81.972691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.972691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.972691 (E_RNA)
where:
Base-Base interactions energy: -36.562
where: short stacking energy: -29.355
Base-Backbone interact. energy: -1.180
local terms energy: -44.230451
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -7.287
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: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -73.829922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.829922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.829922 (E_RNA)
where:
Base-Base interactions energy: -23.726
where: short stacking energy: -18.515
Base-Backbone interact. energy: 1.465
local terms energy: -51.569084
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -253.554444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.554444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.554444 (E_RNA)
where:
Base-Base interactions energy: -173.680
where: short stacking energy: -77.606
Base-Backbone interact. energy: 0.844
local terms energy: -80.718092
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -244.024196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.024196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.024196 (E_RNA)
where:
Base-Base interactions energy: -161.153
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.724
local terms energy: -82.147081
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -236.866732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.866732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.866732 (E_RNA)
where:
Base-Base interactions energy: -157.480
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.379
local terms energy: -79.007681
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -243.371320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.371320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.371320 (E_RNA)
where:
Base-Base interactions energy: -167.749
where: short stacking energy: -74.352
Base-Backbone interact. energy: -0.562
local terms energy: -75.060410
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -215.400424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.400424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.400424 (E_RNA)
where:
Base-Base interactions energy: -149.049
where: short stacking energy: -60.003
Base-Backbone interact. energy: -0.313
local terms energy: -66.039174
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -168.218894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.218894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.218894 (E_RNA)
where:
Base-Base interactions energy: -103.280
where: short stacking energy: -50.007
Base-Backbone interact. energy: -0.108
local terms energy: -64.830509
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -102.578072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578072 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.190
local terms energy: -53.151915
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -6.990
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: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -90.644065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.644065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.644065 (E_RNA)
where:
Base-Base interactions energy: -34.797
where: short stacking energy: -34.797
Base-Backbone interact. energy: -0.013
local terms energy: -55.834103
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -3.537
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: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -82.854466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854466 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.072
local terms energy: -50.702634
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -1.456
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: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -88.955958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.955958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.955958 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -37.018
Base-Backbone interact. energy: 0.643
local terms energy: -51.669988
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -4.088
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -249.533792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.533792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.533792 (E_RNA)
where:
Base-Base interactions energy: -171.233
where: short stacking energy: -72.313
Base-Backbone interact. energy: -0.780
local terms energy: -77.520344
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -242.727183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.727183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.727183 (E_RNA)
where:
Base-Base interactions energy: -166.496
where: short stacking energy: -82.585
Base-Backbone interact. energy: -0.176
local terms energy: -76.055641
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -229.563666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.563666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.563666 (E_RNA)
where:
Base-Base interactions energy: -150.693
where: short stacking energy: -66.318
Base-Backbone interact. energy: -0.057
local terms energy: -78.814295
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -240.706033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.706033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.706033 (E_RNA)
where:
Base-Base interactions energy: -162.093
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.381
local terms energy: -78.231710
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -236.401873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.401873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.401873 (E_RNA)
where:
Base-Base interactions energy: -154.993
where: short stacking energy: -78.858
Base-Backbone interact. energy: -0.457
local terms energy: -80.952420
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -169.659015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.659015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.659015 (E_RNA)
where:
Base-Base interactions energy: -101.837
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.410
local terms energy: -67.412002
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -102.876571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.876571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.876571 (E_RNA)
where:
Base-Base interactions energy: -45.662
where: short stacking energy: -33.379
Base-Backbone interact. energy: -0.213
local terms energy: -57.002404
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -110.646735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.646735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.646735 (E_RNA)
where:
Base-Base interactions energy: -48.033
where: short stacking energy: -37.860
Base-Backbone interact. energy: -0.943
local terms energy: -61.670263
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -6.532
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: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -86.727383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.727383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.727383 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.105
local terms energy: -52.563549
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -91.516768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.516768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.516768 (E_RNA)
where:
Base-Base interactions energy: -37.648
where: short stacking energy: -27.072
Base-Backbone interact. energy: 0.208
local terms energy: -54.076729
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -251.084908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.084908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.084908 (E_RNA)
where:
Base-Base interactions energy: -167.577
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.783
local terms energy: -82.724792
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -232.580171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.580171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.580171 (E_RNA)
where:
Base-Base interactions energy: -155.702
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.194
local terms energy: -76.684552
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -238.973864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.973864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.973864 (E_RNA)
where:
Base-Base interactions energy: -162.799
where: short stacking energy: -77.462
Base-Backbone interact. energy: -1.105
local terms energy: -75.070299
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -21.147
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -230.112437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.112437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.112437 (E_RNA)
where:
Base-Base interactions energy: -159.323
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.520
local terms energy: -70.268758
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -21.066
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: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -241.760146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.760146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.760146 (E_RNA)
where:
Base-Base interactions energy: -170.774
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.312
local terms energy: -70.673709
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -159.223858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.223858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.223858 (E_RNA)
where:
Base-Base interactions energy: -95.831
where: short stacking energy: -39.401
Base-Backbone interact. energy: -0.241
local terms energy: -63.152244
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -7.363
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -107.226639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.226639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.226639 (E_RNA)
where:
Base-Base interactions energy: -44.767
where: short stacking energy: -29.465
Base-Backbone interact. energy: -0.333
local terms energy: -62.126392
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -101.820324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.820324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.820324 (E_RNA)
where:
Base-Base interactions energy: -45.673
where: short stacking energy: -29.136
Base-Backbone interact. energy: -1.663
local terms energy: -54.484846
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -102.646656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.646656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.646656 (E_RNA)
where:
Base-Base interactions energy: -43.414
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.349
local terms energy: -58.883944
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -79.613183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.613183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.613183 (E_RNA)
where:
Base-Base interactions energy: -30.355
where: short stacking energy: -30.355
Base-Backbone interact. energy: -0.298
local terms energy: -48.960886
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -10.224
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: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -258.681748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.681748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.681748 (E_RNA)
where:
Base-Base interactions energy: -175.528
where: short stacking energy: -64.742
Base-Backbone interact. energy: -1.433
local terms energy: -81.720565
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -237.318056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.318056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.318056 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -75.046
Base-Backbone interact. energy: -1.357
local terms energy: -77.030341
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -22.374
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: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -236.549066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.549066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.549066 (E_RNA)
where:
Base-Base interactions energy: -159.770
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.573
local terms energy: -76.206190
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -244.596121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.596121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.596121 (E_RNA)
where:
Base-Base interactions energy: -164.676
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.163
local terms energy: -79.757204
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -16.828
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: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -229.516358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.516358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.516358 (E_RNA)
where:
Base-Base interactions energy: -151.649
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.339
local terms energy: -77.528368
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -20.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -170.824291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.824291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.824291 (E_RNA)
where:
Base-Base interactions energy: -102.529
where: short stacking energy: -51.168
Base-Backbone interact. energy: 0.084
local terms energy: -68.378778
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -8.304
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -107.559855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.559855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.559855 (E_RNA)
where:
Base-Base interactions energy: -51.556
where: short stacking energy: -36.737
Base-Backbone interact. energy: -0.841
local terms energy: -55.163070
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -96.598744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.598744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.598744 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -35.048
Base-Backbone interact. energy: -0.058
local terms energy: -61.492642
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -10.646
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: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -83.793068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793068 (E_RNA)
where:
Base-Base interactions energy: -31.427
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.155
local terms energy: -52.210696
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -9.585
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: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -81.729306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.729306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.729306 (E_RNA)
where:
Base-Base interactions energy: -26.319
where: short stacking energy: -23.144
Base-Backbone interact. energy: -0.498
local terms energy: -54.912222
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -5.224
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: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -253.378038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.378038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.378038 (E_RNA)
where:
Base-Base interactions energy: -166.296
where: short stacking energy: -69.070
Base-Backbone interact. energy: -2.353
local terms energy: -84.728984
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -250.780762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.780762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.780762 (E_RNA)
where:
Base-Base interactions energy: -169.203
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.936
local terms energy: -80.642064
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -12.904
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: 392
Temperature: 1.000000
Total energy: -239.317427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.317427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.317427 (E_RNA)
where:
Base-Base interactions energy: -156.618
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.212
local terms energy: -82.487904
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.331
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: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -233.834270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.834270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.834270 (E_RNA)
where:
Base-Base interactions energy: -163.011
where: short stacking energy: -56.841
Base-Backbone interact. energy: -1.309
local terms energy: -69.514287
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -185.051577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.051577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.051577 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -48.005
Base-Backbone interact. energy: -0.225
local terms energy: -60.025892
where:
bonds (distance) C4'-P energy: -7.558
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -215.092754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.092754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092754 (E_RNA)
where:
Base-Base interactions energy: -140.958
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.209
local terms energy: -73.926203
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -100.542703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.542703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.542703 (E_RNA)
where:
Base-Base interactions energy: -55.781
where: short stacking energy: -29.887
Base-Backbone interact. energy: -0.944
local terms energy: -43.817483
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -106.734892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.734892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.734892 (E_RNA)
where:
Base-Base interactions energy: -50.419
where: short stacking energy: -21.490
Base-Backbone interact. energy: -0.261
local terms energy: -56.055098
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -13.576
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: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -87.097273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.097273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.097273 (E_RNA)
where:
Base-Base interactions energy: -40.051
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.119
local terms energy: -46.927481
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -80.408989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.408989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.408989 (E_RNA)
where:
Base-Base interactions energy: -23.666
where: short stacking energy: -20.276
Base-Backbone interact. energy: -0.422
local terms energy: -56.321002
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -10.573
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: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -250.477008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.477008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.477008 (E_RNA)
where:
Base-Base interactions energy: -165.948
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.443
local terms energy: -84.085924
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -242.175692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.175692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.175692 (E_RNA)
where:
Base-Base interactions energy: -166.558
where: short stacking energy: -64.722
Base-Backbone interact. energy: 1.478
local terms energy: -77.095758
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -246.837212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.837212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.837212 (E_RNA)
where:
Base-Base interactions energy: -169.476
where: short stacking energy: -72.103
Base-Backbone interact. energy: -0.137
local terms energy: -77.224242
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -233.238999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.238999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.238999 (E_RNA)
where:
Base-Base interactions energy: -160.371
where: short stacking energy: -62.066
Base-Backbone interact. energy: -0.874
local terms energy: -71.994173
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -185.982628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.982628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.982628 (E_RNA)
where:
Base-Base interactions energy: -108.799
where: short stacking energy: -61.823
Base-Backbone interact. energy: 0.119
local terms energy: -77.302242
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -225.152957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.152957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.152957 (E_RNA)
where:
Base-Base interactions energy: -149.179
where: short stacking energy: -59.959
Base-Backbone interact. energy: -0.146
local terms energy: -75.828267
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -18.006
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: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -115.332496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.332496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.332496 (E_RNA)
where:
Base-Base interactions energy: -42.243
where: short stacking energy: -23.484
Base-Backbone interact. energy: -0.024
local terms energy: -73.065307
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -7.933
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: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -100.862464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.862464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.862464 (E_RNA)
where:
Base-Base interactions energy: -45.780
where: short stacking energy: -39.266
Base-Backbone interact. energy: -0.824
local terms energy: -54.258647
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -80.494600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.494600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.494600 (E_RNA)
where:
Base-Base interactions energy: -40.456
where: short stacking energy: -28.520
Base-Backbone interact. energy: -0.157
local terms energy: -39.882327
where:
bonds (distance) C4'-P energy: -7.208
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -91.816263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.816263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.816263 (E_RNA)
where:
Base-Base interactions energy: -39.218
where: short stacking energy: -37.153
Base-Backbone interact. energy: -0.054
local terms energy: -52.544069
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -239.261532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.261532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.261532 (E_RNA)
where:
Base-Base interactions energy: -156.929
where: short stacking energy: -73.111
Base-Backbone interact. energy: -0.482
local terms energy: -81.850238
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -23.904
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: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -240.710809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.710809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.710809 (E_RNA)
where:
Base-Base interactions energy: -159.380
where: short stacking energy: -67.798
Base-Backbone interact. energy: -0.321
local terms energy: -81.009565
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -243.180607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.180607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.180607 (E_RNA)
where:
Base-Base interactions energy: -163.656
where: short stacking energy: -64.981
Base-Backbone interact. energy: -0.249
local terms energy: -79.275590
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -219.536306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.536306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.536306 (E_RNA)
where:
Base-Base interactions energy: -138.128
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.841
local terms energy: -80.567702
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -231.971572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.971572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.971572 (E_RNA)
where:
Base-Base interactions energy: -158.667
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.922
local terms energy: -72.381910
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -197.169913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.169913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.169913 (E_RNA)
where:
Base-Base interactions energy: -127.311
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.405
local terms energy: -69.453631
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.485
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: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -95.531520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.531520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.531520 (E_RNA)
where:
Base-Base interactions energy: -39.203
where: short stacking energy: -38.820
Base-Backbone interact. energy: 1.910
local terms energy: -58.238220
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -110.270249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.270249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.270249 (E_RNA)
where:
Base-Base interactions energy: -56.574
where: short stacking energy: -31.090
Base-Backbone interact. energy: -0.304
local terms energy: -53.392088
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -126.848974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.848974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.848974 (E_RNA)
where:
Base-Base interactions energy: -73.902
where: short stacking energy: -32.280
Base-Backbone interact. energy: -0.681
local terms energy: -52.265945
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -84.728746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.728746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.728746 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -26.865
Base-Backbone interact. energy: 1.691
local terms energy: -57.305637
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -247.222756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.222756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.222756 (E_RNA)
where:
Base-Base interactions energy: -163.773
where: short stacking energy: -77.041
Base-Backbone interact. energy: -0.494
local terms energy: -82.955555
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -233.079090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.079090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.079090 (E_RNA)
where:
Base-Base interactions energy: -150.984
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.464
local terms energy: -81.631028
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -245.107682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.107682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.107682 (E_RNA)
where:
Base-Base interactions energy: -162.001
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.624
local terms energy: -82.482458
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -229.209706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.209706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.209706 (E_RNA)
where:
Base-Base interactions energy: -154.117
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.699
local terms energy: -74.393265
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -228.750752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.750752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.750752 (E_RNA)
where:
Base-Base interactions energy: -153.156
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.187
local terms energy: -75.407805
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -9.508
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: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -161.148022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.148022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.148022 (E_RNA)
where:
Base-Base interactions energy: -101.304
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.628
local terms energy: -59.216464
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -8.968
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: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -116.439061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.439061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.439061 (E_RNA)
where:
Base-Base interactions energy: -50.533
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.004
local terms energy: -65.901788
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.300
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: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -116.807611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.807611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.807611 (E_RNA)
where:
Base-Base interactions energy: -68.533
where: short stacking energy: -37.523
Base-Backbone interact. energy: -0.487
local terms energy: -47.787543
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -105.296619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.296619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.296619 (E_RNA)
where:
Base-Base interactions energy: -51.571
where: short stacking energy: -30.462
Base-Backbone interact. energy: -0.101
local terms energy: -53.624558
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -81.799287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.799287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.799287 (E_RNA)
where:
Base-Base interactions energy: -30.172
where: short stacking energy: -22.020
Base-Backbone interact. energy: -0.529
local terms energy: -51.097869
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: 1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -239.927215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.927215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.927215 (E_RNA)
where:
Base-Base interactions energy: -161.597
where: short stacking energy: -70.937
Base-Backbone interact. energy: -1.287
local terms energy: -77.042620
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -11.853
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: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -236.821717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.821717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.821717 (E_RNA)
where:
Base-Base interactions energy: -165.322
where: short stacking energy: -71.770
Base-Backbone interact. energy: -0.270
local terms energy: -71.229551
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -230.740167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.740167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.740167 (E_RNA)
where:
Base-Base interactions energy: -162.660
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.089
local terms energy: -67.991561
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -247.790095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.790095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.790095 (E_RNA)
where:
Base-Base interactions energy: -169.671
where: short stacking energy: -71.094
Base-Backbone interact. energy: -1.036
local terms energy: -77.082996
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -224.841869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.841869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.841869 (E_RNA)
where:
Base-Base interactions energy: -156.773
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.231
local terms energy: -67.838148
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -164.618778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.618778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.618778 (E_RNA)
where:
Base-Base interactions energy: -98.719
where: short stacking energy: -52.181
Base-Backbone interact. energy: -0.157
local terms energy: -65.742528
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -9.064
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: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -101.719951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.719951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.719951 (E_RNA)
where:
Base-Base interactions energy: -41.530
where: short stacking energy: -39.242
Base-Backbone interact. energy: -0.134
local terms energy: -60.055987
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -80.289896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.289896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.289896 (E_RNA)
where:
Base-Base interactions energy: -27.640
where: short stacking energy: -25.418
Base-Backbone interact. energy: -0.163
local terms energy: -52.487390
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -87.662631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662631 (E_RNA)
where:
Base-Base interactions energy: -36.208
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.924
local terms energy: -50.530267
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: 0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -83.632328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.632328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.632328 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -28.005
Base-Backbone interact. energy: -0.294
local terms energy: -54.928594
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -242.606696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.606696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.606696 (E_RNA)
where:
Base-Base interactions energy: -161.870
where: short stacking energy: -68.900
Base-Backbone interact. energy: 0.004
local terms energy: -80.740303
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -14.774
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: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -244.679148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.679148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.679148 (E_RNA)
where:
Base-Base interactions energy: -161.912
where: short stacking energy: -79.144
Base-Backbone interact. energy: -0.467
local terms energy: -82.300245
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -231.381404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.381404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.381404 (E_RNA)
where:
Base-Base interactions energy: -159.132
where: short stacking energy: -71.377
Base-Backbone interact. energy: 0.431
local terms energy: -72.679925
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -17.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -221.150683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.150683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.150683 (E_RNA)
where:
Base-Base interactions energy: -149.786
where: short stacking energy: -51.542
Base-Backbone interact. energy: -0.443
local terms energy: -70.921100
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -222.798203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.798203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.798203 (E_RNA)
where:
Base-Base interactions energy: -148.724
where: short stacking energy: -70.230
Base-Backbone interact. energy: -0.446
local terms energy: -73.627927
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -163.896086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.896086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.896086 (E_RNA)
where:
Base-Base interactions energy: -94.404
where: short stacking energy: -47.807
Base-Backbone interact. energy: -0.153
local terms energy: -69.338507
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -99.519743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.519743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.519743 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.081
local terms energy: -65.004144
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -129.265599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.265599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.265599 (E_RNA)
where:
Base-Base interactions energy: -72.330
where: short stacking energy: -36.711
Base-Backbone interact. energy: -0.242
local terms energy: -56.693429
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -85.178552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.178552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.178552 (E_RNA)
where:
Base-Base interactions energy: -29.237
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.130
local terms energy: -55.811531
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -78.462073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.462073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.462073 (E_RNA)
where:
Base-Base interactions energy: -23.968
where: short stacking energy: -23.252
Base-Backbone interact. energy: -0.245
local terms energy: -54.248770
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: 0.118
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: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -240.496615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.496615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.496615 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.112
local terms energy: -80.577395
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -21.604
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: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -240.935587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.935587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.935587 (E_RNA)
where:
Base-Base interactions energy: -160.211
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.995
local terms energy: -79.729596
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -238.734421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.734421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.734421 (E_RNA)
where:
Base-Base interactions energy: -161.869
where: short stacking energy: -68.595
Base-Backbone interact. energy: -0.514
local terms energy: -76.350673
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -213.483553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.483553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.483553 (E_RNA)
where:
Base-Base interactions energy: -151.124
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.058
local terms energy: -62.301192
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -1.886
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: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -223.614687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.614687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.614687 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -63.044
Base-Backbone interact. energy: -0.227
local terms energy: -75.658919
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -14.657
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: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -160.062878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.062878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.062878 (E_RNA)
where:
Base-Base interactions energy: -95.246
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.275
local terms energy: -64.542499
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -156.739134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.739134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.739134 (E_RNA)
where:
Base-Base interactions energy: -99.086
where: short stacking energy: -43.134
Base-Backbone interact. energy: -1.137
local terms energy: -56.516578
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -4.771
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: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -96.317579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.317579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.317579 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -27.106
Base-Backbone interact. energy: -0.187
local terms energy: -52.976288
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -80.719194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.719194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.719194 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -29.246
Base-Backbone interact. energy: -0.013
local terms energy: -48.658628
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -95.056649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.056649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.056649 (E_RNA)
where:
Base-Base interactions energy: -37.801
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.153
local terms energy: -57.102545
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -0.569
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: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -251.127736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.127736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.127736 (E_RNA)
where:
Base-Base interactions energy: -170.927
where: short stacking energy: -75.677
Base-Backbone interact. energy: -1.224
local terms energy: -78.977154
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -241.775836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.775836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.775836 (E_RNA)
where:
Base-Base interactions energy: -163.966
where: short stacking energy: -80.435
Base-Backbone interact. energy: -0.381
local terms energy: -77.429510
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -229.496311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.496311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.496311 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.058
local terms energy: -74.754769
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -217.805701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.805701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.805701 (E_RNA)
where:
Base-Base interactions energy: -145.060
where: short stacking energy: -59.194
Base-Backbone interact. energy: -0.213
local terms energy: -72.533234
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -221.926426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.926426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.926426 (E_RNA)
where:
Base-Base interactions energy: -159.499
where: short stacking energy: -59.351
Base-Backbone interact. energy: 2.104
local terms energy: -64.531430
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -17.246
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: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -187.477469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.477469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.477469 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.324
local terms energy: -73.741482
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -186.542621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.542621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.542621 (E_RNA)
where:
Base-Base interactions energy: -107.622
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.038
local terms energy: -78.882981
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -90.928105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.928105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.928105 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -31.680
Base-Backbone interact. energy: 0.629
local terms energy: -54.550767
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -4.364
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: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -99.009749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009749 (E_RNA)
where:
Base-Base interactions energy: -44.810
where: short stacking energy: -30.320
Base-Backbone interact. energy: 0.422
local terms energy: -54.621857
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.636
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: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -85.176186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.176186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.176186 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.222
local terms energy: -52.962448
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -238.448663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.448663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.448663 (E_RNA)
where:
Base-Base interactions energy: -155.334
where: short stacking energy: -75.258
Base-Backbone interact. energy: 0.531
local terms energy: -83.645268
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -23.348
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: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -242.853952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.853952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.853952 (E_RNA)
where:
Base-Base interactions energy: -165.454
where: short stacking energy: -79.956
Base-Backbone interact. energy: -0.999
local terms energy: -76.400500
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -12.033
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: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -229.131372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.131372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.131372 (E_RNA)
where:
Base-Base interactions energy: -159.031
where: short stacking energy: -61.931
Base-Backbone interact. energy: 0.899
local terms energy: -70.998922
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -229.617970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.617970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.617970 (E_RNA)
where:
Base-Base interactions energy: -159.231
where: short stacking energy: -62.061
Base-Backbone interact. energy: 0.207
local terms energy: -70.594146
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -235.620835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.620835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.620835 (E_RNA)
where:
Base-Base interactions energy: -161.839
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.260
local terms energy: -73.521575
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -17.512
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: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -164.868330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.868330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.868330 (E_RNA)
where:
Base-Base interactions energy: -92.300
where: short stacking energy: -51.769
Base-Backbone interact. energy: -1.474
local terms energy: -71.094927
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -182.035269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.035269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.035269 (E_RNA)
where:
Base-Base interactions energy: -106.663
where: short stacking energy: -58.800
Base-Backbone interact. energy: -0.205
local terms energy: -75.167737
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -85.922452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.922452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.922452 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -19.006
Base-Backbone interact. energy: 2.417
local terms energy: -47.960745
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -81.270221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.270221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.270221 (E_RNA)
where:
Base-Base interactions energy: -31.365
where: short stacking energy: -29.930
Base-Backbone interact. energy: -0.235
local terms energy: -49.669858
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -83.751829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.751829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.751829 (E_RNA)
where:
Base-Base interactions energy: -29.585
where: short stacking energy: -29.427
Base-Backbone interact. energy: -0.217
local terms energy: -53.949303
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -7.934
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -241.368089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.368089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.368089 (E_RNA)
where:
Base-Base interactions energy: -160.050
where: short stacking energy: -67.628
Base-Backbone interact. energy: 1.244
local terms energy: -82.561397
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -242.568249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.568249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.568249 (E_RNA)
where:
Base-Base interactions energy: -163.984
where: short stacking energy: -78.981
Base-Backbone interact. energy: -0.559
local terms energy: -78.025326
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -241.968208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.968208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.968208 (E_RNA)
where:
Base-Base interactions energy: -162.181
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.365
local terms energy: -79.421868
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -230.960341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.960341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.960341 (E_RNA)
where:
Base-Base interactions energy: -155.599
where: short stacking energy: -68.474
Base-Backbone interact. energy: -0.149
local terms energy: -75.211960
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -217.165333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.165333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.165333 (E_RNA)
where:
Base-Base interactions energy: -146.670
where: short stacking energy: -68.684
Base-Backbone interact. energy: -0.109
local terms energy: -70.386727
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -177.992362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.992362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.992362 (E_RNA)
where:
Base-Base interactions energy: -105.942
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.079
local terms energy: -71.971307
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -145.588901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.588901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.588901 (E_RNA)
where:
Base-Base interactions energy: -85.949
where: short stacking energy: -48.374
Base-Backbone interact. energy: -0.730
local terms energy: -58.909345
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -113.237009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.237009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.237009 (E_RNA)
where:
Base-Base interactions energy: -58.837
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.064
local terms energy: -54.336018
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.762
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: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -76.543936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.543936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.543936 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -23.533
Base-Backbone interact. energy: -0.236
local terms energy: -50.358134
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -95.040507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.040507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.040507 (E_RNA)
where:
Base-Base interactions energy: -37.806
where: short stacking energy: -37.806
Base-Backbone interact. energy: -0.040
local terms energy: -57.195203
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.228
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: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -243.583815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.583815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.583815 (E_RNA)
where:
Base-Base interactions energy: -159.097
where: short stacking energy: -76.519
Base-Backbone interact. energy: -0.148
local terms energy: -84.338827
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -234.024480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.024480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.024480 (E_RNA)
where:
Base-Base interactions energy: -151.996
where: short stacking energy: -68.555
Base-Backbone interact. energy: -0.908
local terms energy: -81.120834
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -230.254011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.254011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.254011 (E_RNA)
where:
Base-Base interactions energy: -160.145
where: short stacking energy: -75.435
Base-Backbone interact. energy: -0.253
local terms energy: -69.855113
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -234.493046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.493046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.493046 (E_RNA)
where:
Base-Base interactions energy: -160.918
where: short stacking energy: -67.470
Base-Backbone interact. energy: -0.093
local terms energy: -73.481340
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -233.616974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.616974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.616974 (E_RNA)
where:
Base-Base interactions energy: -154.605
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.386
local terms energy: -78.625759
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -193.148780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.148780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.148780 (E_RNA)
where:
Base-Base interactions energy: -118.987
where: short stacking energy: -59.078
Base-Backbone interact. energy: -0.015
local terms energy: -74.147302
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -103.562004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.562004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.562004 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -39.889
Base-Backbone interact. energy: -0.111
local terms energy: -63.561826
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -140.521047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.521047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.521047 (E_RNA)
where:
Base-Base interactions energy: -82.481
where: short stacking energy: -45.386
Base-Backbone interact. energy: 0.915
local terms energy: -58.956042
where:
bonds (distance) C4'-P energy: -8.892
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -83.124835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.124835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.124835 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.062
local terms energy: -53.485155
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -88.762644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762644 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -26.516
Base-Backbone interact. energy: -0.090
local terms energy: -61.552382
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -244.428658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.428658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.428658 (E_RNA)
where:
Base-Base interactions energy: -162.839
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.115
local terms energy: -81.474856
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -244.863944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.863944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.863944 (E_RNA)
where:
Base-Base interactions energy: -161.332
where: short stacking energy: -78.113
Base-Backbone interact. energy: -0.690
local terms energy: -82.842273
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -232.571405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.571405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.571405 (E_RNA)
where:
Base-Base interactions energy: -152.596
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.947
local terms energy: -79.028810
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -235.358758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.358758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.358758 (E_RNA)
where:
Base-Base interactions energy: -156.413
where: short stacking energy: -69.787
Base-Backbone interact. energy: -1.218
local terms energy: -77.727027
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -232.019375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.019375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.019375 (E_RNA)
where:
Base-Base interactions energy: -166.341
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.316
local terms energy: -65.361932
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -7.956
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: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -161.466927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.466927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.466927 (E_RNA)
where:
Base-Base interactions energy: -94.599
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.022
local terms energy: -66.845741
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -15.460
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: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -110.619136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.619136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.619136 (E_RNA)
where:
Base-Base interactions energy: -48.784
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.145
local terms energy: -61.690138
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -3.807
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: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -95.178376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.178376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.178376 (E_RNA)
where:
Base-Base interactions energy: -38.601
where: short stacking energy: -34.245
Base-Backbone interact. energy: 1.459
local terms energy: -58.036368
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -82.632111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.632111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.632111 (E_RNA)
where:
Base-Base interactions energy: -35.860
where: short stacking energy: -34.859
Base-Backbone interact. energy: -1.033
local terms energy: -45.739413
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -82.245630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.245630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.245630 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -23.479
Base-Backbone interact. energy: -1.037
local terms energy: -47.662742
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -246.907243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.907243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.907243 (E_RNA)
where:
Base-Base interactions energy: -168.894
where: short stacking energy: -64.966
Base-Backbone interact. energy: -0.291
local terms energy: -77.722330
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -12.846
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: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -242.249697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.249697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.249697 (E_RNA)
where:
Base-Base interactions energy: -159.691
where: short stacking energy: -75.700
Base-Backbone interact. energy: 0.465
local terms energy: -83.024127
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -231.646291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.646291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.646291 (E_RNA)
where:
Base-Base interactions energy: -154.409
where: short stacking energy: -64.153
Base-Backbone interact. energy: -0.249
local terms energy: -76.988997
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -227.695990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.695990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.695990 (E_RNA)
where:
Base-Base interactions energy: -151.903
where: short stacking energy: -60.832
Base-Backbone interact. energy: -0.699
local terms energy: -75.094292
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -224.476557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.476557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.476557 (E_RNA)
where:
Base-Base interactions energy: -159.001
where: short stacking energy: -65.822
Base-Backbone interact. energy: 7.473
local terms energy: -72.948868
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -14.084
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: 404
Temperature: 1.150000
Total energy: -152.317781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.317781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.317781 (E_RNA)
where:
Base-Base interactions energy: -87.880
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.526
local terms energy: -63.911333
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -11.312
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: 404
Temperature: 1.200000
Total energy: -167.612082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.612082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.612082 (E_RNA)
where:
Base-Base interactions energy: -95.083
where: short stacking energy: -40.119
Base-Backbone interact. energy: -0.163
local terms energy: -72.365690
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -100.261998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.261998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.261998 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -37.454
Base-Backbone interact. energy: -0.869
local terms energy: -58.294556
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -95.388755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.388755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.388755 (E_RNA)
where:
Base-Base interactions energy: -39.533
where: short stacking energy: -35.478
Base-Backbone interact. energy: -0.085
local terms energy: -55.770563
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -3.483
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: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -84.721625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.721625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.721625 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -30.354
Base-Backbone interact. energy: -0.510
local terms energy: -51.536859
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -2.228
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -250.810006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.810006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.810006 (E_RNA)
where:
Base-Base interactions energy: -167.797
where: short stacking energy: -71.398
Base-Backbone interact. energy: 0.560
local terms energy: -83.573433
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -17.582
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: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -232.430801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.430801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.430801 (E_RNA)
where:
Base-Base interactions energy: -157.324
where: short stacking energy: -63.106
Base-Backbone interact. energy: -0.402
local terms energy: -74.704981
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.035
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: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -230.141239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.141239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.141239 (E_RNA)
where:
Base-Base interactions energy: -151.420
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.601
local terms energy: -78.120091
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -17.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -225.105653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.105653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.105653 (E_RNA)
where:
Base-Base interactions energy: -156.147
where: short stacking energy: -65.381
Base-Backbone interact. energy: -0.060
local terms energy: -68.898824
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.237
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: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -223.514309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.514309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.514309 (E_RNA)
where:
Base-Base interactions energy: -145.712
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.271
local terms energy: -77.531068
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -15.895
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: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -165.735136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.735136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.735136 (E_RNA)
where:
Base-Base interactions energy: -95.442
where: short stacking energy: -46.893
Base-Backbone interact. energy: -0.012
local terms energy: -70.281443
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -158.082946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.082946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.082946 (E_RNA)
where:
Base-Base interactions energy: -108.014
where: short stacking energy: -47.374
Base-Backbone interact. energy: -0.711
local terms energy: -49.357618
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -91.364581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.364581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.364581 (E_RNA)
where:
Base-Base interactions energy: -39.108
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.195
local terms energy: -52.061493
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: 2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -97.037285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.037285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.037285 (E_RNA)
where:
Base-Base interactions energy: -37.568
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.000
local terms energy: -59.468953
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -81.843655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.843655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.843655 (E_RNA)
where:
Base-Base interactions energy: -34.788
where: short stacking energy: -33.726
Base-Backbone interact. energy: 0.491
local terms energy: -47.546811
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -247.237613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.237613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.237613 (E_RNA)
where:
Base-Base interactions energy: -169.797
where: short stacking energy: -63.137
Base-Backbone interact. energy: 0.568
local terms energy: -78.008185
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -239.678548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.678548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.678548 (E_RNA)
where:
Base-Base interactions energy: -161.696
where: short stacking energy: -75.275
Base-Backbone interact. energy: -0.934
local terms energy: -77.048546
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -237.668430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.668430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.668430 (E_RNA)
where:
Base-Base interactions energy: -165.612
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.527
local terms energy: -71.528461
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -225.102613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.102613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.102613 (E_RNA)
where:
Base-Base interactions energy: -153.829
where: short stacking energy: -63.183
Base-Backbone interact. energy: -0.113
local terms energy: -71.160437
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -230.576398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.576398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.576398 (E_RNA)
where:
Base-Base interactions energy: -158.104
where: short stacking energy: -68.681
Base-Backbone interact. energy: -0.194
local terms energy: -72.277464
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -158.148948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.148948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.148948 (E_RNA)
where:
Base-Base interactions energy: -91.033
where: short stacking energy: -37.902
Base-Backbone interact. energy: -0.233
local terms energy: -66.882747
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -167.934686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.934686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.934686 (E_RNA)
where:
Base-Base interactions energy: -96.951
where: short stacking energy: -48.305
Base-Backbone interact. energy: 1.210
local terms energy: -72.192842
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -96.997366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.997366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.997366 (E_RNA)
where:
Base-Base interactions energy: -43.809
where: short stacking energy: -34.655
Base-Backbone interact. energy: 0.004
local terms energy: -53.192113
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.523
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: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -83.641925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.641925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.641925 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.207
local terms energy: -49.736389
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -80.270881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.270881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.270881 (E_RNA)
where:
Base-Base interactions energy: -30.904
where: short stacking energy: -30.904
Base-Backbone interact. energy: 0.212
local terms energy: -49.578316
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -242.347285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.347285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.347285 (E_RNA)
where:
Base-Base interactions energy: -160.451
where: short stacking energy: -75.087
Base-Backbone interact. energy: -1.019
local terms energy: -80.877654
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -235.377580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.377580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.377580 (E_RNA)
where:
Base-Base interactions energy: -166.455
where: short stacking energy: -63.986
Base-Backbone interact. energy: -0.129
local terms energy: -68.793860
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -233.829047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829047 (E_RNA)
where:
Base-Base interactions energy: -160.802
where: short stacking energy: -64.014
Base-Backbone interact. energy: -0.559
local terms energy: -72.467926
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -11.836
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: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -235.784314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.784314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.784314 (E_RNA)
where:
Base-Base interactions energy: -160.641
where: short stacking energy: -57.745
Base-Backbone interact. energy: -0.269
local terms energy: -74.874815
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -10.441
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: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -231.718232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.718232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.718232 (E_RNA)
where:
Base-Base interactions energy: -166.827
where: short stacking energy: -71.536
Base-Backbone interact. energy: 3.426
local terms energy: -68.317265
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -13.618
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: 407
Temperature: 1.150000
Total energy: -176.907345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.907345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.907345 (E_RNA)
where:
Base-Base interactions energy: -105.995
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.190
local terms energy: -70.723093
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -9.953
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -157.648179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.648179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.648179 (E_RNA)
where:
Base-Base interactions energy: -94.136
where: short stacking energy: -52.303
Base-Backbone interact. energy: 0.812
local terms energy: -64.325036
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -86.876865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.876865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.876865 (E_RNA)
where:
Base-Base interactions energy: -24.389
where: short stacking energy: -24.389
Base-Backbone interact. energy: 1.380
local terms energy: -63.867794
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.284
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: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -79.314167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.314167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.314167 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -28.602
Base-Backbone interact. energy: -1.268
local terms energy: -45.950566
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -5.604
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: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -88.884377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.884377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.884377 (E_RNA)
where:
Base-Base interactions energy: -39.771
where: short stacking energy: -32.078
Base-Backbone interact. energy: -0.156
local terms energy: -48.957214
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: 2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -239.047335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.047335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.047335 (E_RNA)
where:
Base-Base interactions energy: -156.719
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.319
local terms energy: -82.009376
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -18.381
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: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -233.685014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.685014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.685014 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -69.116
Base-Backbone interact. energy: 0.755
local terms energy: -80.482580
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -17.450
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: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -249.980551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.980551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.980551 (E_RNA)
where:
Base-Base interactions energy: -175.793
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.492
local terms energy: -73.696417
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -229.632520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.632520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.632520 (E_RNA)
where:
Base-Base interactions energy: -162.330
where: short stacking energy: -76.569
Base-Backbone interact. energy: -0.056
local terms energy: -67.247396
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.686
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: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -230.760734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.760734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.760734 (E_RNA)
where:
Base-Base interactions energy: -158.118
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.338
local terms energy: -72.305274
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -177.298854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.298854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.298854 (E_RNA)
where:
Base-Base interactions energy: -111.163
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.166
local terms energy: -65.969537
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -174.455954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.455954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.455954 (E_RNA)
where:
Base-Base interactions energy: -110.342
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.008
local terms energy: -64.105522
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -13.318
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: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -89.478277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.478277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.478277 (E_RNA)
where:
Base-Base interactions energy: -30.561
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.392
local terms energy: -58.525837
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -82.446820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.446820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.446820 (E_RNA)
where:
Base-Base interactions energy: -25.565
where: short stacking energy: -19.542
Base-Backbone interact. energy: -0.056
local terms energy: -56.826413
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -81.100517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.100517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.100517 (E_RNA)
where:
Base-Base interactions energy: -31.973
where: short stacking energy: -23.587
Base-Backbone interact. energy: 0.101
local terms energy: -49.228406
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: 1.472
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: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -241.369729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.369729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.369729 (E_RNA)
where:
Base-Base interactions energy: -163.210
where: short stacking energy: -62.762
Base-Backbone interact. energy: -0.361
local terms energy: -77.798604
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -242.342381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.342381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.342381 (E_RNA)
where:
Base-Base interactions energy: -162.130
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.613
local terms energy: -79.599206
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -16.913
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -236.557107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.557107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.557107 (E_RNA)
where:
Base-Base interactions energy: -160.875
where: short stacking energy: -64.112
Base-Backbone interact. energy: 1.083
local terms energy: -76.765216
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -240.639939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.639939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.639939 (E_RNA)
where:
Base-Base interactions energy: -161.891
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.156
local terms energy: -78.592508
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -227.681545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.681545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.681545 (E_RNA)
where:
Base-Base interactions energy: -143.725
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.257
local terms energy: -83.699191
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -14.545
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: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -189.777400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.777400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.777400 (E_RNA)
where:
Base-Base interactions energy: -118.612
where: short stacking energy: -66.470
Base-Backbone interact. energy: -0.068
local terms energy: -71.096876
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -170.150134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.150134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.150134 (E_RNA)
where:
Base-Base interactions energy: -97.931
where: short stacking energy: -49.283
Base-Backbone interact. energy: -0.001
local terms energy: -72.217447
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -87.457352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.457352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.457352 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -29.912
Base-Backbone interact. energy: 0.037
local terms energy: -54.900363
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -80.383929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.383929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.383929 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.457
local terms energy: -47.792149
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -3.501
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: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -76.797355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.797355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.797355 (E_RNA)
where:
Base-Base interactions energy: -28.822
where: short stacking energy: -25.001
Base-Backbone interact. energy: -1.218
local terms energy: -46.757531
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: 2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -236.770066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.770066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.770066 (E_RNA)
where:
Base-Base interactions energy: -157.265
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.255
local terms energy: -79.249957
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -237.576133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.576133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.576133 (E_RNA)
where:
Base-Base interactions energy: -156.290
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.311
local terms energy: -80.975137
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -11.487
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: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -244.467931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.467931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.467931 (E_RNA)
where:
Base-Base interactions energy: -164.728
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.280
local terms energy: -79.459490
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -218.414908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.414908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.414908 (E_RNA)
where:
Base-Base interactions energy: -146.259
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.599
local terms energy: -71.556630
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -229.231011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.231011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.231011 (E_RNA)
where:
Base-Base interactions energy: -158.934
where: short stacking energy: -72.439
Base-Backbone interact. energy: -0.298
local terms energy: -69.999152
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -179.691026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.691026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.691026 (E_RNA)
where:
Base-Base interactions energy: -112.447
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.865
local terms energy: -66.378925
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -155.198912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.198912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.198912 (E_RNA)
where:
Base-Base interactions energy: -98.040
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.566
local terms energy: -56.592917
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -9.994
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -10.966
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: 410
Temperature: 1.250000
Total energy: -104.900792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.900792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.900792 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -45.273
Base-Backbone interact. energy: 0.284
local terms energy: -60.004271
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -86.157923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157923 (E_RNA)
where:
Base-Base interactions energy: -36.342
where: short stacking energy: -36.342
Base-Backbone interact. energy: -0.100
local terms energy: -49.715786
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.481584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.481584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.481584 (E_RNA)
where:
Base-Base interactions energy: -33.830
where: short stacking energy: -32.971
Base-Backbone interact. energy: -1.439
local terms energy: -42.212789
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -5.861
flat angles P-C4'-P energy: 0.710
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: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -245.044810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.044810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.044810 (E_RNA)
where:
Base-Base interactions energy: -164.147
where: short stacking energy: -66.114
Base-Backbone interact. energy: -0.762
local terms energy: -80.135622
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -246.900848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.900848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.900848 (E_RNA)
where:
Base-Base interactions energy: -166.970
where: short stacking energy: -73.108
Base-Backbone interact. energy: -2.073
local terms energy: -77.858041
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -19.100
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: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -232.256395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.256395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.256395 (E_RNA)
where:
Base-Base interactions energy: -143.252
where: short stacking energy: -70.850
Base-Backbone interact. energy: -0.261
local terms energy: -88.743657
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -230.402727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.402727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.402727 (E_RNA)
where:
Base-Base interactions energy: -149.246
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.397
local terms energy: -80.759038
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -233.920235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.920235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.920235 (E_RNA)
where:
Base-Base interactions energy: -161.078
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.119
local terms energy: -72.723485
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -176.699028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.699028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.699028 (E_RNA)
where:
Base-Base interactions energy: -101.890
where: short stacking energy: -54.283
Base-Backbone interact. energy: -1.046
local terms energy: -73.762411
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.135
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: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -97.035129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.035129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.035129 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -23.961
Base-Backbone interact. energy: -0.314
local terms energy: -61.922137
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.249
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: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -83.938558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.938558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.938558 (E_RNA)
where:
Base-Base interactions energy: -27.910
where: short stacking energy: -21.489
Base-Backbone interact. energy: -0.518
local terms energy: -55.510028
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -8.336
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: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -88.703652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.703652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.703652 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -23.753
Base-Backbone interact. energy: -0.780
local terms energy: -56.323644
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -9.514
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: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -80.951233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951233 (E_RNA)
where:
Base-Base interactions energy: -24.832
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.784
local terms energy: -55.335418
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -263.371560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.371560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.371560 (E_RNA)
where:
Base-Base interactions energy: -185.908
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.417
local terms energy: -77.046797
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -238.603986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.603986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.603986 (E_RNA)
where:
Base-Base interactions energy: -154.931
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.791
local terms energy: -82.882222
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -233.430876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.430876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.430876 (E_RNA)
where:
Base-Base interactions energy: -148.145
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.195
local terms energy: -85.091331
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -229.709469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.709469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.709469 (E_RNA)
where:
Base-Base interactions energy: -156.922
where: short stacking energy: -73.393
Base-Backbone interact. energy: 0.122
local terms energy: -72.909997
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -14.997
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -222.472829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.472829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.472829 (E_RNA)
where:
Base-Base interactions energy: -142.161
where: short stacking energy: -66.650
Base-Backbone interact. energy: -0.888
local terms energy: -79.423904
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -150.779200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.779200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.779200 (E_RNA)
where:
Base-Base interactions energy: -92.824
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.114
local terms energy: -57.841198
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -6.930
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -102.425460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.425460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.425460 (E_RNA)
where:
Base-Base interactions energy: -48.853
where: short stacking energy: -43.518
Base-Backbone interact. energy: -0.022
local terms energy: -53.550972
where:
bonds (distance) C4'-P energy: -8.267
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -87.979803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.979803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.979803 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -34.889
Base-Backbone interact. energy: -0.064
local terms energy: -53.026941
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -93.694663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.694663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.694663 (E_RNA)
where:
Base-Base interactions energy: -37.833
where: short stacking energy: -28.611
Base-Backbone interact. energy: -0.411
local terms energy: -55.450166
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -6.765
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: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -78.732014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.732014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.732014 (E_RNA)
where:
Base-Base interactions energy: -26.638
where: short stacking energy: -17.712
Base-Backbone interact. energy: 0.844
local terms energy: -52.938040
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: 1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -252.863983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.863983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.863983 (E_RNA)
where:
Base-Base interactions energy: -177.974
where: short stacking energy: -70.465
Base-Backbone interact. energy: -0.270
local terms energy: -74.620049
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -230.248514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.248514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.248514 (E_RNA)
where:
Base-Base interactions energy: -152.799
where: short stacking energy: -71.323
Base-Backbone interact. energy: 1.197
local terms energy: -78.646106
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -239.083436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.083436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.083436 (E_RNA)
where:
Base-Base interactions energy: -157.260
where: short stacking energy: -72.276
Base-Backbone interact. energy: -2.280
local terms energy: -79.543590
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -21.292
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: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -225.113702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.113702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.113702 (E_RNA)
where:
Base-Base interactions energy: -156.325
where: short stacking energy: -68.563
Base-Backbone interact. energy: -0.369
local terms energy: -68.419595
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -231.034189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.034189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.034189 (E_RNA)
where:
Base-Base interactions energy: -158.042
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.412
local terms energy: -72.579880
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -166.106551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.106551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.106551 (E_RNA)
where:
Base-Base interactions energy: -97.715
where: short stacking energy: -45.037
Base-Backbone interact. energy: -0.203
local terms energy: -68.188861
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.533
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: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -106.937141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.937141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.937141 (E_RNA)
where:
Base-Base interactions energy: -47.639
where: short stacking energy: -38.359
Base-Backbone interact. energy: -0.299
local terms energy: -58.999922
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -89.913724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.913724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.913724 (E_RNA)
where:
Base-Base interactions energy: -30.464
where: short stacking energy: -28.463
Base-Backbone interact. energy: -1.086
local terms energy: -58.363181
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -100.019318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.019318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.019318 (E_RNA)
where:
Base-Base interactions energy: -40.284
where: short stacking energy: -35.451
Base-Backbone interact. energy: -0.989
local terms energy: -58.746518
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -3.463
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: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -77.205774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.205774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.205774 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -21.743
Base-Backbone interact. energy: -0.191
local terms energy: -49.599035
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -261.259226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.259226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.259226 (E_RNA)
where:
Base-Base interactions energy: -184.854
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.285
local terms energy: -76.120811
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -238.034173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.034173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.034173 (E_RNA)
where:
Base-Base interactions energy: -157.588
where: short stacking energy: -64.569
Base-Backbone interact. energy: -0.120
local terms energy: -80.325815
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -227.456541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.456541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.456541 (E_RNA)
where:
Base-Base interactions energy: -152.389
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.101
local terms energy: -74.966655
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -12.440
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: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -234.548598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.548598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.548598 (E_RNA)
where:
Base-Base interactions energy: -160.741
where: short stacking energy: -72.567
Base-Backbone interact. energy: -0.308
local terms energy: -73.499304
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -230.005172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.005172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.005172 (E_RNA)
where:
Base-Base interactions energy: -158.408
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.060
local terms energy: -71.537668
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -17.094
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: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -179.496137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.496137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.496137 (E_RNA)
where:
Base-Base interactions energy: -115.133
where: short stacking energy: -55.890
Base-Backbone interact. energy: -0.538
local terms energy: -63.825619
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -13.632
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: 414
Temperature: 1.200000
Total energy: -90.087129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.087129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.087129 (E_RNA)
where:
Base-Base interactions energy: -28.880
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.220
local terms energy: -60.986705
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -108.659023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.659023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.659023 (E_RNA)
where:
Base-Base interactions energy: -53.058
where: short stacking energy: -41.055
Base-Backbone interact. energy: -0.064
local terms energy: -55.537673
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -91.751818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751818 (E_RNA)
where:
Base-Base interactions energy: -32.425
where: short stacking energy: -32.425
Base-Backbone interact. energy: -0.120
local terms energy: -59.206060
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -91.419555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.419555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.419555 (E_RNA)
where:
Base-Base interactions energy: -50.310
where: short stacking energy: -24.676
Base-Backbone interact. energy: 0.115
local terms energy: -41.224261
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: 1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -261.430267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.430267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.430267 (E_RNA)
where:
Base-Base interactions energy: -193.672
where: short stacking energy: -68.845
Base-Backbone interact. energy: 0.794
local terms energy: -68.552040
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -236.446793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.446793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.446793 (E_RNA)
where:
Base-Base interactions energy: -160.349
where: short stacking energy: -65.838
Base-Backbone interact. energy: 0.451
local terms energy: -76.548314
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -226.932506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.932506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.932506 (E_RNA)
where:
Base-Base interactions energy: -154.674
where: short stacking energy: -72.450
Base-Backbone interact. energy: -0.083
local terms energy: -72.175588
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -12.170
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: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -229.322647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.322647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.322647 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.212
local terms energy: -75.665112
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -234.488963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.488963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.488963 (E_RNA)
where:
Base-Base interactions energy: -158.756
where: short stacking energy: -69.936
Base-Backbone interact. energy: -0.504
local terms energy: -75.228432
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -169.008450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.008450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.008450 (E_RNA)
where:
Base-Base interactions energy: -106.317
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.887
local terms energy: -61.804648
where:
bonds (distance) C4'-P energy: -6.126
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -18.662
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: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -124.713898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.713898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.713898 (E_RNA)
where:
Base-Base interactions energy: -60.171
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.009
local terms energy: -64.533745
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -11.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -99.097565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.097565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.097565 (E_RNA)
where:
Base-Base interactions energy: -46.389
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.084
local terms energy: -52.625129
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -82.191608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.191608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.191608 (E_RNA)
where:
Base-Base interactions energy: -28.933
where: short stacking energy: -28.410
Base-Backbone interact. energy: 0.309
local terms energy: -53.567439
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -82.589870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.589870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.589870 (E_RNA)
where:
Base-Base interactions energy: -32.389
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.300
local terms energy: -49.900952
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -252.701325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.701325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.701325 (E_RNA)
where:
Base-Base interactions energy: -184.268
where: short stacking energy: -62.768
Base-Backbone interact. energy: -1.259
local terms energy: -67.173972
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -248.789898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.789898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.789898 (E_RNA)
where:
Base-Base interactions energy: -169.411
where: short stacking energy: -62.882
Base-Backbone interact. energy: 0.073
local terms energy: -79.452251
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -12.704
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -236.875663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.875663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.875663 (E_RNA)
where:
Base-Base interactions energy: -161.644
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.281
local terms energy: -74.951237
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -225.482816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.482816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.482816 (E_RNA)
where:
Base-Base interactions energy: -151.596
where: short stacking energy: -59.115
Base-Backbone interact. energy: -0.350
local terms energy: -73.537049
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -223.970413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.970413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.970413 (E_RNA)
where:
Base-Base interactions energy: -162.969
where: short stacking energy: -74.697
Base-Backbone interact. energy: -0.086
local terms energy: -60.915110
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -7.538
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: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -176.607201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.607201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.607201 (E_RNA)
where:
Base-Base interactions energy: -114.600
where: short stacking energy: -61.993
Base-Backbone interact. energy: -0.069
local terms energy: -61.937718
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -14.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -121.824271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.824271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.824271 (E_RNA)
where:
Base-Base interactions energy: -59.216
where: short stacking energy: -40.121
Base-Backbone interact. energy: -0.101
local terms energy: -62.507087
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -93.650602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.650602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.650602 (E_RNA)
where:
Base-Base interactions energy: -42.025
where: short stacking energy: -42.025
Base-Backbone interact. energy: -0.077
local terms energy: -51.547977
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: 0.304
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: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -86.908885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.908885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.908885 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -34.506
Base-Backbone interact. energy: -0.110
local terms energy: -52.107974
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -85.966345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.966345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.966345 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -28.772
Base-Backbone interact. energy: -0.174
local terms energy: -51.812242
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -251.407276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.407276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.407276 (E_RNA)
where:
Base-Base interactions energy: -180.007
where: short stacking energy: -68.409
Base-Backbone interact. energy: 0.498
local terms energy: -71.898250
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -250.274675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.274675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.274675 (E_RNA)
where:
Base-Base interactions energy: -169.358
where: short stacking energy: -65.931
Base-Backbone interact. energy: 1.132
local terms energy: -82.048639
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -235.520048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.520048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.520048 (E_RNA)
where:
Base-Base interactions energy: -158.099
where: short stacking energy: -74.691
Base-Backbone interact. energy: -0.268
local terms energy: -77.153107
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -226.203473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.203473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.203473 (E_RNA)
where:
Base-Base interactions energy: -149.280
where: short stacking energy: -65.801
Base-Backbone interact. energy: -0.509
local terms energy: -76.414387
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -222.214141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.214141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.214141 (E_RNA)
where:
Base-Base interactions energy: -143.157
where: short stacking energy: -75.651
Base-Backbone interact. energy: -0.535
local terms energy: -78.521921
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -144.898005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.898005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.898005 (E_RNA)
where:
Base-Base interactions energy: -84.766
where: short stacking energy: -45.401
Base-Backbone interact. energy: -0.028
local terms energy: -60.103870
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -106.034671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.034671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.034671 (E_RNA)
where:
Base-Base interactions energy: -48.702
where: short stacking energy: -38.400
Base-Backbone interact. energy: -0.483
local terms energy: -56.849620
where:
bonds (distance) C4'-P energy: -7.053
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -92.240947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.240947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.240947 (E_RNA)
where:
Base-Base interactions energy: -34.333
where: short stacking energy: -31.294
Base-Backbone interact. energy: 0.614
local terms energy: -58.522275
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -90.865431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.865431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.865431 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -39.145
Base-Backbone interact. energy: -0.093
local terms energy: -44.807789
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -6.971
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: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -81.132833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.132833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.132833 (E_RNA)
where:
Base-Base interactions energy: -39.042
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.628
local terms energy: -41.462941
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -3.866
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: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -252.160990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.160990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.160990 (E_RNA)
where:
Base-Base interactions energy: -173.770
where: short stacking energy: -64.393
Base-Backbone interact. energy: -1.626
local terms energy: -76.765190
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -257.322294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.322294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.322294 (E_RNA)
where:
Base-Base interactions energy: -182.828
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.200
local terms energy: -74.293950
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -11.226
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: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -229.776625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.776625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.776625 (E_RNA)
where:
Base-Base interactions energy: -154.898
where: short stacking energy: -63.488
Base-Backbone interact. energy: -0.148
local terms energy: -74.729979
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -13.752
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: 418
Temperature: 1.050000
Total energy: -225.040077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.040077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.040077 (E_RNA)
where:
Base-Base interactions energy: -148.221
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.546
local terms energy: -76.273317
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -223.000224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.000224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.000224 (E_RNA)
where:
Base-Base interactions energy: -145.009
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.929
local terms energy: -77.062083
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -172.277065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.277065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.277065 (E_RNA)
where:
Base-Base interactions energy: -104.458
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.147
local terms energy: -67.671516
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -13.712
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: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -100.936333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.936333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.936333 (E_RNA)
where:
Base-Base interactions energy: -50.654
where: short stacking energy: -37.638
Base-Backbone interact. energy: -0.097
local terms energy: -50.185480
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -105.799494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.799494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.799494 (E_RNA)
where:
Base-Base interactions energy: -49.770
where: short stacking energy: -44.209
Base-Backbone interact. energy: -0.126
local terms energy: -55.903383
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -83.066827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.066827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.066827 (E_RNA)
where:
Base-Base interactions energy: -35.999
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.023
local terms energy: -47.045442
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -2.150
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -81.479355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.479355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.479355 (E_RNA)
where:
Base-Base interactions energy: -31.707
where: short stacking energy: -26.689
Base-Backbone interact. energy: -0.237
local terms energy: -49.535619
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -243.164248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.164248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.164248 (E_RNA)
where:
Base-Base interactions energy: -169.722
where: short stacking energy: -67.717
Base-Backbone interact. energy: -0.113
local terms energy: -73.329582
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -261.579052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.579052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.579052 (E_RNA)
where:
Base-Base interactions energy: -185.480
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.156
local terms energy: -75.942629
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -239.250469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.250469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.250469 (E_RNA)
where:
Base-Base interactions energy: -172.729
where: short stacking energy: -71.270
Base-Backbone interact. energy: -0.123
local terms energy: -66.398219
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -18.291
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -226.635856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.635856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.635856 (E_RNA)
where:
Base-Base interactions energy: -152.349
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.074
local terms energy: -74.212911
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.912
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: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -218.903979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.903979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.903979 (E_RNA)
where:
Base-Base interactions energy: -145.716
where: short stacking energy: -66.898
Base-Backbone interact. energy: 0.981
local terms energy: -74.168677
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -119.141023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.141023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.141023 (E_RNA)
where:
Base-Base interactions energy: -52.317
where: short stacking energy: -52.317
Base-Backbone interact. energy: -0.004
local terms energy: -66.820363
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -167.026207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.026207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.026207 (E_RNA)
where:
Base-Base interactions energy: -102.844
where: short stacking energy: -55.224
Base-Backbone interact. energy: -1.279
local terms energy: -62.903534
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -13.836
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: 419
Temperature: 1.250000
Total energy: -98.563416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.563416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.563416 (E_RNA)
where:
Base-Base interactions energy: -41.483
where: short stacking energy: -27.663
Base-Backbone interact. energy: 0.367
local terms energy: -57.447646
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -89.382509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.382509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.382509 (E_RNA)
where:
Base-Base interactions energy: -32.310
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.103
local terms energy: -56.969747
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -7.492
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: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -84.202527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.202527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.202527 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -25.935
Base-Backbone interact. energy: -0.356
local terms energy: -54.942912
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -259.622398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.622398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.622398 (E_RNA)
where:
Base-Base interactions energy: -180.849
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.172
local terms energy: -78.601438
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -240.543426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.543426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.543426 (E_RNA)
where:
Base-Base interactions energy: -167.291
where: short stacking energy: -61.684
Base-Backbone interact. energy: -1.212
local terms energy: -72.040982
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -235.021389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.021389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.021389 (E_RNA)
where:
Base-Base interactions energy: -157.911
where: short stacking energy: -66.807
Base-Backbone interact. energy: 0.116
local terms energy: -77.225904
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -228.005443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.005443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.005443 (E_RNA)
where:
Base-Base interactions energy: -150.952
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.695
local terms energy: -76.358581
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.798
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: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -217.850217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.850217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.850217 (E_RNA)
where:
Base-Base interactions energy: -149.451
where: short stacking energy: -66.232
Base-Backbone interact. energy: 1.134
local terms energy: -69.532652
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -5.186
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: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -106.733986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.733986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.733986 (E_RNA)
where:
Base-Base interactions energy: -41.341
where: short stacking energy: -33.125
Base-Backbone interact. energy: -0.203
local terms energy: -65.189468
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -6.493
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: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -173.576002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.576002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.576002 (E_RNA)
where:
Base-Base interactions energy: -107.093
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.178
local terms energy: -66.304920
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -126.108013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.108013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.108013 (E_RNA)
where:
Base-Base interactions energy: -64.971
where: short stacking energy: -37.159
Base-Backbone interact. energy: -0.221
local terms energy: -60.915947
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -85.499820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.499820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.499820 (E_RNA)
where:
Base-Base interactions energy: -41.757
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.170
local terms energy: -43.573177
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -7.629
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: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -83.164412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.164412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.164412 (E_RNA)
where:
Base-Base interactions energy: -34.102
where: short stacking energy: -33.395
Base-Backbone interact. energy: -0.154
local terms energy: -48.908691
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -2.093
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: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -251.072885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.072885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.072885 (E_RNA)
where:
Base-Base interactions energy: -173.640
where: short stacking energy: -62.654
Base-Backbone interact. energy: 0.175
local terms energy: -77.608413
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -12.654
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: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -236.127739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.127739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.127739 (E_RNA)
where:
Base-Base interactions energy: -154.707
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.264
local terms energy: -81.156178
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -237.298667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.298667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.298667 (E_RNA)
where:
Base-Base interactions energy: -157.754
where: short stacking energy: -61.342
Base-Backbone interact. energy: -0.272
local terms energy: -79.272716
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -233.656652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.656652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.656652 (E_RNA)
where:
Base-Base interactions energy: -166.022
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.275
local terms energy: -67.359170
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -216.872798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.872798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.872798 (E_RNA)
where:
Base-Base interactions energy: -145.217
where: short stacking energy: -63.477
Base-Backbone interact. energy: -0.326
local terms energy: -71.329668
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -188.757838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.757838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.757838 (E_RNA)
where:
Base-Base interactions energy: -111.607
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.631
local terms energy: -76.520077
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -95.833526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.833526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.833526 (E_RNA)
where:
Base-Base interactions energy: -37.592
where: short stacking energy: -36.033
Base-Backbone interact. energy: -0.495
local terms energy: -57.745890
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -12.159
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: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -111.782130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.782130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.782130 (E_RNA)
where:
Base-Base interactions energy: -45.524
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.014
local terms energy: -66.243959
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -9.289
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -91.168460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168460 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -25.358
Base-Backbone interact. energy: -0.313
local terms energy: -50.975934
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -90.679272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.679272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.679272 (E_RNA)
where:
Base-Base interactions energy: -26.927
where: short stacking energy: -20.242
Base-Backbone interact. energy: -0.982
local terms energy: -62.769629
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -239.694077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.694077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.694077 (E_RNA)
where:
Base-Base interactions energy: -163.348
where: short stacking energy: -76.578
Base-Backbone interact. energy: -0.293
local terms energy: -76.053633
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -259.237744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.237744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.237744 (E_RNA)
where:
Base-Base interactions energy: -183.993
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.012
local terms energy: -75.232305
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -240.338752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.338752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.338752 (E_RNA)
where:
Base-Base interactions energy: -165.078
where: short stacking energy: -66.300
Base-Backbone interact. energy: -0.789
local terms energy: -74.471335
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -12.514
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: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -226.052427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.052427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.052427 (E_RNA)
where:
Base-Base interactions energy: -159.304
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.243
local terms energy: -66.505500
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -7.093
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: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -195.482990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.482990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.482990 (E_RNA)
where:
Base-Base interactions energy: -121.664
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.700
local terms energy: -73.119208
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -216.142727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.142727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.142727 (E_RNA)
where:
Base-Base interactions energy: -142.953
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.253
local terms energy: -72.937587
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -8.088
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: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -95.225859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.225859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.225859 (E_RNA)
where:
Base-Base interactions energy: -36.266
where: short stacking energy: -35.730
Base-Backbone interact. energy: -0.110
local terms energy: -58.849861
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -11.469
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: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -100.582438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.582438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.582438 (E_RNA)
where:
Base-Base interactions energy: -47.578
where: short stacking energy: -43.050
Base-Backbone interact. energy: -0.017
local terms energy: -52.987079
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -86.292717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.292717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.292717 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.214
local terms energy: -50.487555
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -79.833406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.833406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.833406 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.173
local terms energy: -43.188135
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -240.621445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.621445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.621445 (E_RNA)
where:
Base-Base interactions energy: -160.287
where: short stacking energy: -62.761
Base-Backbone interact. energy: -0.732
local terms energy: -79.602110
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -258.692714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.692714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.692714 (E_RNA)
where:
Base-Base interactions energy: -182.917
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.865
local terms energy: -74.910462
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.000
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: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -245.579061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.579061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.579061 (E_RNA)
where:
Base-Base interactions energy: -168.127
where: short stacking energy: -64.137
Base-Backbone interact. energy: 0.338
local terms energy: -77.790660
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -223.519604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.519604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.519604 (E_RNA)
where:
Base-Base interactions energy: -161.894
where: short stacking energy: -56.142
Base-Backbone interact. energy: -0.439
local terms energy: -61.185963
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -11.766
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: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -206.529401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.529401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.529401 (E_RNA)
where:
Base-Base interactions energy: -128.379
where: short stacking energy: -73.410
Base-Backbone interact. energy: 1.425
local terms energy: -79.575764
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -216.799131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.799131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.799131 (E_RNA)
where:
Base-Base interactions energy: -154.446
where: short stacking energy: -71.075
Base-Backbone interact. energy: 0.800
local terms energy: -63.152978
where:
bonds (distance) C4'-P energy: -6.381
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -10.185
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: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -90.174891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.174891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.174891 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.077
local terms energy: -57.268603
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.879
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: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -99.535014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.535014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.535014 (E_RNA)
where:
Base-Base interactions energy: -50.378
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.020
local terms energy: -49.136572
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -88.926065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.926065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.926065 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -33.647
Base-Backbone interact. energy: -0.129
local terms energy: -55.149785
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -12.663
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: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -86.687719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.687719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.687719 (E_RNA)
where:
Base-Base interactions energy: -25.558
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.445
local terms energy: -60.684267
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: 0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -258.269356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.269356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.269356 (E_RNA)
where:
Base-Base interactions energy: -182.561
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.361
local terms energy: -75.347157
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.903
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: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -238.488280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.488280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.488280 (E_RNA)
where:
Base-Base interactions energy: -164.973
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.120
local terms energy: -73.395507
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -229.476093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.476093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476093 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.196
local terms energy: -75.505975
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -236.276677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.276677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.276677 (E_RNA)
where:
Base-Base interactions energy: -163.010
where: short stacking energy: -68.421
Base-Backbone interact. energy: 0.528
local terms energy: -73.794008
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -10.410
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -218.741837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.741837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.741837 (E_RNA)
where:
Base-Base interactions energy: -154.980
where: short stacking energy: -62.226
Base-Backbone interact. energy: 1.204
local terms energy: -64.966365
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -178.764826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.764826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.764826 (E_RNA)
where:
Base-Base interactions energy: -108.900
where: short stacking energy: -55.699
Base-Backbone interact. energy: -0.131
local terms energy: -69.733833
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -105.317243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.317243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.317243 (E_RNA)
where:
Base-Base interactions energy: -51.985
where: short stacking energy: -34.396
Base-Backbone interact. energy: -0.117
local terms energy: -53.215784
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -97.520366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.520366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.520366 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -36.192
Base-Backbone interact. energy: -0.545
local terms energy: -54.837305
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -87.081691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.081691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.081691 (E_RNA)
where:
Base-Base interactions energy: -40.735
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.255
local terms energy: -46.092399
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -4.884
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: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -86.707512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.707512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.707512 (E_RNA)
where:
Base-Base interactions energy: -34.015
where: short stacking energy: -33.347
Base-Backbone interact. energy: -0.122
local terms energy: -52.569655
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -2.726
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: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -258.403383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.403383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.403383 (E_RNA)
where:
Base-Base interactions energy: -184.496
where: short stacking energy: -70.051
Base-Backbone interact. energy: -1.306
local terms energy: -72.601640
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -242.529496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.529496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.529496 (E_RNA)
where:
Base-Base interactions energy: -165.431
where: short stacking energy: -67.696
Base-Backbone interact. energy: -0.186
local terms energy: -76.913126
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.429
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: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -228.207742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.207742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.207742 (E_RNA)
where:
Base-Base interactions energy: -157.764
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.188
local terms energy: -70.256365
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -15.235
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: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -242.860326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.860326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.860326 (E_RNA)
where:
Base-Base interactions energy: -169.492
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.012
local terms energy: -73.356758
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -237.638669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.638669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.638669 (E_RNA)
where:
Base-Base interactions energy: -166.609
where: short stacking energy: -63.672
Base-Backbone interact. energy: -0.405
local terms energy: -70.624917
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -180.215259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215259 (E_RNA)
where:
Base-Base interactions energy: -112.016
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.268
local terms energy: -67.931873
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -104.288157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.288157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.288157 (E_RNA)
where:
Base-Base interactions energy: -51.557
where: short stacking energy: -31.674
Base-Backbone interact. energy: 0.212
local terms energy: -52.943239
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -107.590416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.590416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.590416 (E_RNA)
where:
Base-Base interactions energy: -56.036
where: short stacking energy: -34.178
Base-Backbone interact. energy: -0.049
local terms energy: -51.506286
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -88.645084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.645084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.645084 (E_RNA)
where:
Base-Base interactions energy: -39.833
where: short stacking energy: -27.827
Base-Backbone interact. energy: 0.603
local terms energy: -49.415727
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: 1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -80.248917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.248917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.248917 (E_RNA)
where:
Base-Base interactions energy: -27.869
where: short stacking energy: -16.429
Base-Backbone interact. energy: -0.239
local terms energy: -52.140428
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -255.237617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.237617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.237617 (E_RNA)
where:
Base-Base interactions energy: -179.166
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.707
local terms energy: -75.365433
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -239.655487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.655487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.655487 (E_RNA)
where:
Base-Base interactions energy: -167.860
where: short stacking energy: -67.848
Base-Backbone interact. energy: -0.319
local terms energy: -71.476316
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -243.810480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.810480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.810480 (E_RNA)
where:
Base-Base interactions energy: -164.662
where: short stacking energy: -68.813
Base-Backbone interact. energy: 0.463
local terms energy: -79.611834
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -20.182
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: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -223.192840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.192840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.192840 (E_RNA)
where:
Base-Base interactions energy: -152.225
where: short stacking energy: -62.421
Base-Backbone interact. energy: -0.217
local terms energy: -70.751121
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -221.863567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.863567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.863567 (E_RNA)
where:
Base-Base interactions energy: -143.605
where: short stacking energy: -58.980
Base-Backbone interact. energy: 0.057
local terms energy: -78.314833
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -186.671291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.671291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.671291 (E_RNA)
where:
Base-Base interactions energy: -113.281
where: short stacking energy: -57.826
Base-Backbone interact. energy: -1.675
local terms energy: -71.715358
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -99.335268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.335268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.335268 (E_RNA)
where:
Base-Base interactions energy: -40.710
where: short stacking energy: -40.710
Base-Backbone interact. energy: -0.441
local terms energy: -58.183882
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -10.627
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: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -80.441306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.441306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.441306 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.140
local terms energy: -48.822162
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -92.149560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.149560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.149560 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -31.098
Base-Backbone interact. energy: -0.368
local terms energy: -58.998625
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.210
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: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -85.596165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596165 (E_RNA)
where:
Base-Base interactions energy: -45.011
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.293
local terms energy: -40.292324
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: 0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -256.742697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.742697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.742697 (E_RNA)
where:
Base-Base interactions energy: -183.774
where: short stacking energy: -69.950
Base-Backbone interact. energy: 0.717
local terms energy: -73.685611
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -255.598389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.598389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.598389 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -77.690
Base-Backbone interact. energy: -0.068
local terms energy: -85.841540
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -237.295932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.295932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.295932 (E_RNA)
where:
Base-Base interactions energy: -163.512
where: short stacking energy: -62.341
Base-Backbone interact. energy: 0.902
local terms energy: -74.686224
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -237.368189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.368189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.368189 (E_RNA)
where:
Base-Base interactions energy: -168.312
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.265
local terms energy: -68.790723
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -226.376209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.376209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.376209 (E_RNA)
where:
Base-Base interactions energy: -149.153
where: short stacking energy: -68.030
Base-Backbone interact. energy: -0.179
local terms energy: -77.044544
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.398
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: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -206.673558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.673558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.673558 (E_RNA)
where:
Base-Base interactions energy: -135.051
where: short stacking energy: -69.458
Base-Backbone interact. energy: -0.012
local terms energy: -71.610797
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -14.580
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: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -96.230668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.230668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.230668 (E_RNA)
where:
Base-Base interactions energy: -38.522
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.044
local terms energy: -57.664770
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -90.984700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.984700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.984700 (E_RNA)
where:
Base-Base interactions energy: -37.032
where: short stacking energy: -37.525
Base-Backbone interact. energy: -0.287
local terms energy: -53.664959
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -4.591
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -101.501166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.501166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.501166 (E_RNA)
where:
Base-Base interactions energy: -47.423
where: short stacking energy: -42.668
Base-Backbone interact. energy: 0.489
local terms energy: -54.566611
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -78.008912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.008912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.008912 (E_RNA)
where:
Base-Base interactions energy: -22.633
where: short stacking energy: -17.892
Base-Backbone interact. energy: -0.348
local terms energy: -55.027756
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -9.025
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: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -256.704993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.704993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.704993 (E_RNA)
where:
Base-Base interactions energy: -174.994
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.034
local terms energy: -81.677147
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -255.716715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.716715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.716715 (E_RNA)
where:
Base-Base interactions energy: -185.838
where: short stacking energy: -73.095
Base-Backbone interact. energy: 0.566
local terms energy: -70.445010
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -238.797406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.797406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.797406 (E_RNA)
where:
Base-Base interactions energy: -159.874
where: short stacking energy: -66.173
Base-Backbone interact. energy: 0.133
local terms energy: -79.057097
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -236.016060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.016060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.016060 (E_RNA)
where:
Base-Base interactions energy: -160.286
where: short stacking energy: -60.987
Base-Backbone interact. energy: 0.498
local terms energy: -76.228202
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -14.248
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: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -223.756482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.756482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.756482 (E_RNA)
where:
Base-Base interactions energy: -145.363
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.115
local terms energy: -78.278058
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -13.093
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: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -178.801970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.801970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.801970 (E_RNA)
where:
Base-Base interactions energy: -107.137
where: short stacking energy: -47.903
Base-Backbone interact. energy: -1.182
local terms energy: -70.482935
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -93.412986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.412986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.412986 (E_RNA)
where:
Base-Base interactions energy: -37.214
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.095
local terms energy: -56.103692
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -97.160877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.160877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.160877 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.266
local terms energy: -59.543683
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -4.069
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: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -85.315631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.315631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.315631 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.056
local terms energy: -49.864586
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -7.479
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: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -87.760782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.760782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.760782 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -35.479
Base-Backbone interact. energy: -0.112
local terms energy: -47.474568
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -254.131657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.131657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.131657 (E_RNA)
where:
Base-Base interactions energy: -173.200
where: short stacking energy: -72.576
Base-Backbone interact. energy: -0.496
local terms energy: -80.435754
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -15.039
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: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -250.952658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.952658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.952658 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -77.339
Base-Backbone interact. energy: -0.039
local terms energy: -80.937387
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -15.325
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: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -236.576710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.576710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.576710 (E_RNA)
where:
Base-Base interactions energy: -168.208
where: short stacking energy: -68.908
Base-Backbone interact. energy: 0.562
local terms energy: -68.931135
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -229.809626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.809626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.809626 (E_RNA)
where:
Base-Base interactions energy: -145.685
where: short stacking energy: -68.639
Base-Backbone interact. energy: -0.409
local terms energy: -83.714692
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -22.281
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: 429
Temperature: 1.100000
Total energy: -228.479531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.479531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.479531 (E_RNA)
where:
Base-Base interactions energy: -165.021
where: short stacking energy: -62.177
Base-Backbone interact. energy: -0.580
local terms energy: -62.877646
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -174.025627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.025627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.025627 (E_RNA)
where:
Base-Base interactions energy: -106.258
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.567
local terms energy: -67.200276
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -12.401
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: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -93.569907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.569907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.569907 (E_RNA)
where:
Base-Base interactions energy: -32.622
where: short stacking energy: -32.622
Base-Backbone interact. energy: -0.023
local terms energy: -60.924633
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -7.513
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: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -97.817117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.817117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.817117 (E_RNA)
where:
Base-Base interactions energy: -38.338
where: short stacking energy: -33.958
Base-Backbone interact. energy: -0.215
local terms energy: -59.264891
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -3.811
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: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -89.797805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.797805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.797805 (E_RNA)
where:
Base-Base interactions energy: -35.290
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.244
local terms energy: -54.263121
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -86.816569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.816569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.816569 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -24.081
Base-Backbone interact. energy: -0.586
local terms energy: -44.381196
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: 3.793
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: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -250.806510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.806510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.806510 (E_RNA)
where:
Base-Base interactions energy: -176.518
where: short stacking energy: -71.852
Base-Backbone interact. energy: 0.630
local terms energy: -74.918662
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -248.024870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.024870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.024870 (E_RNA)
where:
Base-Base interactions energy: -174.609
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.068
local terms energy: -73.347147
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -14.025
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: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -251.421727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.421727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.421727 (E_RNA)
where:
Base-Base interactions energy: -171.872
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.339
local terms energy: -79.210395
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -14.587
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: 430
Temperature: 1.050000
Total energy: -223.878188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.878188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.878188 (E_RNA)
where:
Base-Base interactions energy: -155.398
where: short stacking energy: -69.563
Base-Backbone interact. energy: -0.105
local terms energy: -68.375180
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -199.314084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.314084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.314084 (E_RNA)
where:
Base-Base interactions energy: -127.641
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.104
local terms energy: -71.569524
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -217.102294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.102294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.102294 (E_RNA)
where:
Base-Base interactions energy: -145.830
where: short stacking energy: -65.258
Base-Backbone interact. energy: -0.148
local terms energy: -71.124631
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -103.454670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.454670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.454670 (E_RNA)
where:
Base-Base interactions energy: -43.567
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.223
local terms energy: -59.664461
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -82.136715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136715 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -21.658
Base-Backbone interact. energy: -0.536
local terms energy: -50.598702
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -8.229
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: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -88.492671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.492671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.492671 (E_RNA)
where:
Base-Base interactions energy: -40.538
where: short stacking energy: -32.026
Base-Backbone interact. energy: -0.135
local terms energy: -47.819270
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -3.034
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: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -91.441195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.441195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.441195 (E_RNA)
where:
Base-Base interactions energy: -41.362
where: short stacking energy: -33.337
Base-Backbone interact. energy: -0.067
local terms energy: -50.012352
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -261.861746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.861746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.861746 (E_RNA)
where:
Base-Base interactions energy: -180.971
where: short stacking energy: -77.914
Base-Backbone interact. energy: -0.067
local terms energy: -80.823373
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -256.477809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.477809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.477809 (E_RNA)
where:
Base-Base interactions energy: -185.262
where: short stacking energy: -63.952
Base-Backbone interact. energy: -1.717
local terms energy: -69.498877
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -230.644017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.644017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.644017 (E_RNA)
where:
Base-Base interactions energy: -155.092
where: short stacking energy: -70.328
Base-Backbone interact. energy: 1.275
local terms energy: -76.827013
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -220.998139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.998139 (E_RNA)
where:
Base-Base interactions energy: -152.622
where: short stacking energy: -54.613
Base-Backbone interact. energy: -0.375
local terms energy: -68.000716
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.642
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: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -204.253966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.253966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.253966 (E_RNA)
where:
Base-Base interactions energy: -126.273
where: short stacking energy: -68.836
Base-Backbone interact. energy: -0.082
local terms energy: -77.898623
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -210.326906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.326906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.326906 (E_RNA)
where:
Base-Base interactions energy: -154.874
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.267
local terms energy: -55.185377
where:
bonds (distance) C4'-P energy: -4.929
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -118.157866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.157866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.157866 (E_RNA)
where:
Base-Base interactions energy: -55.179
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.122
local terms energy: -62.856962
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -118.981156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.981156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.981156 (E_RNA)
where:
Base-Base interactions energy: -61.340
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.051
local terms energy: -57.590159
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -99.187169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.187169 (E_RNA)
where:
Base-Base interactions energy: -48.074
where: short stacking energy: -44.033
Base-Backbone interact. energy: -0.037
local terms energy: -51.076593
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -9.484
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: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -80.720892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.720892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.720892 (E_RNA)
where:
Base-Base interactions energy: -25.938
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.136
local terms energy: -54.646053
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -260.209998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.209998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.209998 (E_RNA)
where:
Base-Base interactions energy: -176.775
where: short stacking energy: -67.133
Base-Backbone interact. energy: -1.658
local terms energy: -81.777598
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -14.421
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: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -249.029173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.029173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.029173 (E_RNA)
where:
Base-Base interactions energy: -171.020
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.044
local terms energy: -77.965212
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -17.916
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: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -240.584641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.584641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.584641 (E_RNA)
where:
Base-Base interactions energy: -167.554
where: short stacking energy: -75.720
Base-Backbone interact. energy: -0.331
local terms energy: -72.699392
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -13.778
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: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -228.988644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.988644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.988644 (E_RNA)
where:
Base-Base interactions energy: -154.425
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.232
local terms energy: -74.332104
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.297
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: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -217.130716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.130716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130716 (E_RNA)
where:
Base-Base interactions energy: -147.593
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.278
local terms energy: -69.259420
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -189.551106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.551106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.551106 (E_RNA)
where:
Base-Base interactions energy: -113.296
where: short stacking energy: -55.036
Base-Backbone interact. energy: -0.042
local terms energy: -76.213058
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -151.684100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.684100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.684100 (E_RNA)
where:
Base-Base interactions energy: -84.497
where: short stacking energy: -39.234
Base-Backbone interact. energy: -0.316
local terms energy: -66.871649
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.670
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: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -110.097020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.097020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.097020 (E_RNA)
where:
Base-Base interactions energy: -60.637
where: short stacking energy: -23.325
Base-Backbone interact. energy: -0.126
local terms energy: -49.334338
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -93.464181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464181 (E_RNA)
where:
Base-Base interactions energy: -42.130
where: short stacking energy: -36.324
Base-Backbone interact. energy: 2.395
local terms energy: -53.729343
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -91.961008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.961008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.961008 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -28.155
Base-Backbone interact. energy: 0.236
local terms energy: -53.998313
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -262.530047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.530047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.530047 (E_RNA)
where:
Base-Base interactions energy: -180.565
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.710
local terms energy: -81.255191
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -14.039
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: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -231.357140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.357140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.357140 (E_RNA)
where:
Base-Base interactions energy: -157.244
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.340
local terms energy: -73.773039
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -10.660
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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -249.364911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.364911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.364911 (E_RNA)
where:
Base-Base interactions energy: -174.272
where: short stacking energy: -74.617
Base-Backbone interact. energy: -0.179
local terms energy: -74.914430
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -231.532882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.532882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.532882 (E_RNA)
where:
Base-Base interactions energy: -156.853
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.267
local terms energy: -74.412931
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.351
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: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -230.225571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.225571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.225571 (E_RNA)
where:
Base-Base interactions energy: -160.496
where: short stacking energy: -66.368
Base-Backbone interact. energy: 0.884
local terms energy: -70.613900
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -14.799
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: 433
Temperature: 1.150000
Total energy: -197.761310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.761310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.761310 (E_RNA)
where:
Base-Base interactions energy: -118.616
where: short stacking energy: -53.516
Base-Backbone interact. energy: -2.869
local terms energy: -76.276461
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -157.699939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.699939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.699939 (E_RNA)
where:
Base-Base interactions energy: -89.701
where: short stacking energy: -45.199
Base-Backbone interact. energy: -0.020
local terms energy: -67.978976
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -85.006073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.006073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.006073 (E_RNA)
where:
Base-Base interactions energy: -44.631
where: short stacking energy: -19.344
Base-Backbone interact. energy: 1.098
local terms energy: -41.472821
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: 4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -91.336864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.336864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.336864 (E_RNA)
where:
Base-Base interactions energy: -44.023
where: short stacking energy: -44.023
Base-Backbone interact. energy: 0.160
local terms energy: -47.474289
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -5.417
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -9.686
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: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -92.451735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.451735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.451735 (E_RNA)
where:
Base-Base interactions energy: -28.567
where: short stacking energy: -28.413
Base-Backbone interact. energy: -0.122
local terms energy: -63.762964
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -254.881564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.881564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.881564 (E_RNA)
where:
Base-Base interactions energy: -185.606
where: short stacking energy: -70.448
Base-Backbone interact. energy: 1.900
local terms energy: -71.175269
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -239.197631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.197631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.197631 (E_RNA)
where:
Base-Base interactions energy: -162.237
where: short stacking energy: -70.559
Base-Backbone interact. energy: -0.181
local terms energy: -76.779122
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -250.584228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.584228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.584228 (E_RNA)
where:
Base-Base interactions energy: -181.056
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.683
local terms energy: -68.845359
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -222.361351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.361351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.361351 (E_RNA)
where:
Base-Base interactions energy: -146.266
where: short stacking energy: -57.710
Base-Backbone interact. energy: -1.830
local terms energy: -74.265864
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -209.612650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.612650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.612650 (E_RNA)
where:
Base-Base interactions energy: -129.875
where: short stacking energy: -72.171
Base-Backbone interact. energy: -0.005
local terms energy: -79.732400
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -216.088628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.088628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.088628 (E_RNA)
where:
Base-Base interactions energy: -148.482
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.605
local terms energy: -67.001704
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -155.751049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.751049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.751049 (E_RNA)
where:
Base-Base interactions energy: -93.101
where: short stacking energy: -45.029
Base-Backbone interact. energy: -0.160
local terms energy: -62.490754
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -101.457161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.457161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.457161 (E_RNA)
where:
Base-Base interactions energy: -51.490
where: short stacking energy: -28.927
Base-Backbone interact. energy: -0.931
local terms energy: -49.036198
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -83.581119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.581119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.581119 (E_RNA)
where:
Base-Base interactions energy: -31.047
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.015
local terms energy: -52.519091
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -88.064486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.064486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.064486 (E_RNA)
where:
Base-Base interactions energy: -35.204
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.120
local terms energy: -52.740364
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -3.654
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: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -249.829074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.829074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.829074 (E_RNA)
where:
Base-Base interactions energy: -170.154
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.073
local terms energy: -79.601378
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -256.317585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.317585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.317585 (E_RNA)
where:
Base-Base interactions energy: -170.498
where: short stacking energy: -73.960
Base-Backbone interact. energy: -0.345
local terms energy: -85.474204
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -240.677055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.677055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.677055 (E_RNA)
where:
Base-Base interactions energy: -160.419
where: short stacking energy: -65.180
Base-Backbone interact. energy: 2.541
local terms energy: -82.798195
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -17.180
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: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -197.143878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.143878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.143878 (E_RNA)
where:
Base-Base interactions energy: -128.605
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.044
local terms energy: -68.494379
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -11.352
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: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -230.771829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.771829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.771829 (E_RNA)
where:
Base-Base interactions energy: -158.532
where: short stacking energy: -64.166
Base-Backbone interact. energy: -0.584
local terms energy: -71.655629
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -224.687736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.687736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.687736 (E_RNA)
where:
Base-Base interactions energy: -150.876
where: short stacking energy: -64.768
Base-Backbone interact. energy: 1.282
local terms energy: -75.094327
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -18.428
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: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -145.012338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.012338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.012338 (E_RNA)
where:
Base-Base interactions energy: -88.876
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.070
local terms energy: -56.066777
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -98.408927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.408927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.408927 (E_RNA)
where:
Base-Base interactions energy: -43.395
where: short stacking energy: -43.395
Base-Backbone interact. energy: -0.117
local terms energy: -54.896094
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -82.992215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.992215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.992215 (E_RNA)
where:
Base-Base interactions energy: -36.204
where: short stacking energy: -34.939
Base-Backbone interact. energy: -0.195
local terms energy: -46.593863
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: -8.107
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: 435
Temperature: 1.350000
Total energy: -93.799466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799466 (E_RNA)
where:
Base-Base interactions energy: -38.011
where: short stacking energy: -23.173
Base-Backbone interact. energy: -0.501
local terms energy: -55.287653
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -5.185
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: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -246.517286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.517286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.517286 (E_RNA)
where:
Base-Base interactions energy: -169.251
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.572
local terms energy: -76.693572
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -8.220
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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -237.714573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.714573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.714573 (E_RNA)
where:
Base-Base interactions energy: -163.428
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.106
local terms energy: -74.180161
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -233.363322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.363322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.363322 (E_RNA)
where:
Base-Base interactions energy: -160.298
where: short stacking energy: -75.068
Base-Backbone interact. energy: -0.217
local terms energy: -72.848344
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.997
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: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -185.748351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.748351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.748351 (E_RNA)
where:
Base-Base interactions energy: -113.508
where: short stacking energy: -63.569
Base-Backbone interact. energy: 0.998
local terms energy: -73.238550
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -221.200599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.200599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.200599 (E_RNA)
where:
Base-Base interactions energy: -146.514
where: short stacking energy: -67.187
Base-Backbone interact. energy: -0.107
local terms energy: -74.579810
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -17.236
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: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -225.530809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.530809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.530809 (E_RNA)
where:
Base-Base interactions energy: -153.389
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.388
local terms energy: -71.753778
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -118.368547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.368547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.368547 (E_RNA)
where:
Base-Base interactions energy: -66.626
where: short stacking energy: -38.231
Base-Backbone interact. energy: -0.092
local terms energy: -51.650943
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -11.229
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: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -86.632466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.632466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.632466 (E_RNA)
where:
Base-Base interactions energy: -28.456
where: short stacking energy: -27.988
Base-Backbone interact. energy: -0.632
local terms energy: -57.544685
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -4.317
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: 436
Temperature: 1.300000
Total energy: -127.518452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.518452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.518452 (E_RNA)
where:
Base-Base interactions energy: -81.182
where: short stacking energy: -41.370
Base-Backbone interact. energy: 1.354
local terms energy: -47.689991
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -6.413
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -81.700314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700314 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.982
local terms energy: -48.782583
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -0.595
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -248.838182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.838182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.838182 (E_RNA)
where:
Base-Base interactions energy: -166.900
where: short stacking energy: -67.024
Base-Backbone interact. energy: -1.170
local terms energy: -80.768573
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -236.708389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.708389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.708389 (E_RNA)
where:
Base-Base interactions energy: -158.406
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.838
local terms energy: -77.464549
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -244.278946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.278946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.278946 (E_RNA)
where:
Base-Base interactions energy: -166.291
where: short stacking energy: -70.121
Base-Backbone interact. energy: 1.692
local terms energy: -79.680251
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -233.209034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.209034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.209034 (E_RNA)
where:
Base-Base interactions energy: -160.366
where: short stacking energy: -69.460
Base-Backbone interact. energy: -0.234
local terms energy: -72.608806
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -6.715
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: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -162.666756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.666756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.666756 (E_RNA)
where:
Base-Base interactions energy: -96.742
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.232
local terms energy: -65.692584
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -12.292
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: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -206.855570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.855570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.855570 (E_RNA)
where:
Base-Base interactions energy: -147.087
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.351
local terms energy: -59.418301
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -12.383
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: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -96.391372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.391372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.391372 (E_RNA)
where:
Base-Base interactions energy: -38.289
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.397
local terms energy: -57.705114
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -4.223
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: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -149.001663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.001663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.001663 (E_RNA)
where:
Base-Base interactions energy: -86.925
where: short stacking energy: -38.027
Base-Backbone interact. energy: 0.588
local terms energy: -62.664677
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -91.606221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606221 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -31.918
Base-Backbone interact. energy: -0.465
local terms energy: -59.189084
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -94.524416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.524416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.524416 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -33.533
Base-Backbone interact. energy: -0.117
local terms energy: -59.578750
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -5.898
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: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -247.966450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.966450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.966450 (E_RNA)
where:
Base-Base interactions energy: -167.246
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.414
local terms energy: -80.306840
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -15.895
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: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -248.256555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.256555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.256555 (E_RNA)
where:
Base-Base interactions energy: -164.485
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.254
local terms energy: -83.516689
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -13.846
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: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -225.080590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.080590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.080590 (E_RNA)
where:
Base-Base interactions energy: -153.760
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.427
local terms energy: -70.893349
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -230.556074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.556074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.556074 (E_RNA)
where:
Base-Base interactions energy: -151.687
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.277
local terms energy: -78.591951
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -220.477485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.477485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.477485 (E_RNA)
where:
Base-Base interactions energy: -151.669
where: short stacking energy: -72.765
Base-Backbone interact. energy: -0.156
local terms energy: -68.652242
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -5.605
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: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -173.258222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.258222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.258222 (E_RNA)
where:
Base-Base interactions energy: -102.391
where: short stacking energy: -54.755
Base-Backbone interact. energy: -0.113
local terms energy: -70.754003
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.871
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: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -100.238533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.238533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.238533 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -39.799
Base-Backbone interact. energy: -0.297
local terms energy: -56.897180
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -89.586485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.586485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.586485 (E_RNA)
where:
Base-Base interactions energy: -47.900
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.284
local terms energy: -41.402332
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -0.637
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: 438
Temperature: 1.300000
Total energy: -90.900024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900024 (E_RNA)
where:
Base-Base interactions energy: -41.995
where: short stacking energy: -39.639
Base-Backbone interact. energy: -0.181
local terms energy: -48.723945
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -109.505159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.505159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.505159 (E_RNA)
where:
Base-Base interactions energy: -49.251
where: short stacking energy: -38.750
Base-Backbone interact. energy: -0.070
local terms energy: -60.183777
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -241.118093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.118093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.118093 (E_RNA)
where:
Base-Base interactions energy: -157.443
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.002
local terms energy: -83.673419
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -247.560738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.560738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.560738 (E_RNA)
where:
Base-Base interactions energy: -168.454
where: short stacking energy: -73.985
Base-Backbone interact. energy: -0.216
local terms energy: -78.891180
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -243.553038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.553038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.553038 (E_RNA)
where:
Base-Base interactions energy: -167.534
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.078
local terms energy: -75.941675
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -236.991162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.991162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.991162 (E_RNA)
where:
Base-Base interactions energy: -157.681
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.369
local terms energy: -78.941606
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -221.871003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.871003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.871003 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -69.141
Base-Backbone interact. energy: -0.811
local terms energy: -67.012114
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -181.780976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.780976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.780976 (E_RNA)
where:
Base-Base interactions energy: -117.122
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.145
local terms energy: -64.514081
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -129.227580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.227580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.227580 (E_RNA)
where:
Base-Base interactions energy: -69.294
where: short stacking energy: -33.100
Base-Backbone interact. energy: -0.260
local terms energy: -59.673630
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -92.910262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.910262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.910262 (E_RNA)
where:
Base-Base interactions energy: -38.884
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.021
local terms energy: -54.005162
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -5.690
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: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -90.237270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.237270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.237270 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -30.213
Base-Backbone interact. energy: -0.163
local terms energy: -59.860766
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -98.036614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.036614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.036614 (E_RNA)
where:
Base-Base interactions energy: -49.402
where: short stacking energy: -27.255
Base-Backbone interact. energy: -1.721
local terms energy: -46.912998
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -2.597
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -257.348172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.348172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.348172 (E_RNA)
where:
Base-Base interactions energy: -173.750
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.238
local terms energy: -83.360541
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -234.630265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.630265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.630265 (E_RNA)
where:
Base-Base interactions energy: -156.674
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.275
local terms energy: -77.680580
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -238.128715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.128715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.128715 (E_RNA)
where:
Base-Base interactions energy: -166.949
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.733
local terms energy: -70.446628
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -222.281829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.281829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.281829 (E_RNA)
where:
Base-Base interactions energy: -152.522
where: short stacking energy: -64.407
Base-Backbone interact. energy: -0.808
local terms energy: -68.951450
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -17.825
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -218.614708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.614708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.614708 (E_RNA)
where:
Base-Base interactions energy: -154.714
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.308
local terms energy: -63.592234
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -148.349438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.349438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.349438 (E_RNA)
where:
Base-Base interactions energy: -82.058
where: short stacking energy: -45.893
Base-Backbone interact. energy: -0.363
local terms energy: -65.928885
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -154.589861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.589861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.589861 (E_RNA)
where:
Base-Base interactions energy: -104.365
where: short stacking energy: -50.115
Base-Backbone interact. energy: 0.001
local terms energy: -50.225934
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -87.968657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968657 (E_RNA)
where:
Base-Base interactions energy: -29.450
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.161
local terms energy: -58.357355
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -102.233476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.233476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.233476 (E_RNA)
where:
Base-Base interactions energy: -44.666
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.019
local terms energy: -57.548793
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -83.141200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.141200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.141200 (E_RNA)
where:
Base-Base interactions energy: -37.844
where: short stacking energy: -31.979
Base-Backbone interact. energy: -0.011
local terms energy: -45.286063
where:
bonds (distance) C4'-P energy: -6.310
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -261.685360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.685360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.685360 (E_RNA)
where:
Base-Base interactions energy: -181.874
where: short stacking energy: -69.296
Base-Backbone interact. energy: 0.203
local terms energy: -80.013849
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -11.952
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: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -248.452588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.452588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.452588 (E_RNA)
where:
Base-Base interactions energy: -174.704
where: short stacking energy: -66.085
Base-Backbone interact. energy: -1.152
local terms energy: -72.596720
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -12.623
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: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -231.435674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.435674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.435674 (E_RNA)
where:
Base-Base interactions energy: -154.190
where: short stacking energy: -61.546
Base-Backbone interact. energy: -0.549
local terms energy: -76.696758
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -13.750
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: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -215.323618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.323618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.323618 (E_RNA)
where:
Base-Base interactions energy: -148.050
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.396
local terms energy: -66.877003
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -219.340903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.340903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.340903 (E_RNA)
where:
Base-Base interactions energy: -147.386
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.295
local terms energy: -71.659393
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -159.974879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.974879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.974879 (E_RNA)
where:
Base-Base interactions energy: -97.908
where: short stacking energy: -45.426
Base-Backbone interact. energy: -0.372
local terms energy: -61.695709
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -155.111919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.111919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.111919 (E_RNA)
where:
Base-Base interactions energy: -105.025
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.045
local terms energy: -50.042740
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -101.502430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.502430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.502430 (E_RNA)
where:
Base-Base interactions energy: -45.150
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.010
local terms energy: -56.342314
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -81.665420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.665420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.665420 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -27.311
Base-Backbone interact. energy: -1.356
local terms energy: -49.660489
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -87.257268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.257268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.257268 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -17.591
Base-Backbone interact. energy: -0.425
local terms energy: -41.534985
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -7.190
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: 4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -264.154313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.154313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.154313 (E_RNA)
where:
Base-Base interactions energy: -189.502
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.257
local terms energy: -74.395294
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -12.728
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: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -254.628209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.628209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.628209 (E_RNA)
where:
Base-Base interactions energy: -175.263
where: short stacking energy: -73.910
Base-Backbone interact. energy: -0.110
local terms energy: -79.255139
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -20.055
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: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -208.013786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.013786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.013786 (E_RNA)
where:
Base-Base interactions energy: -141.190
where: short stacking energy: -58.192
Base-Backbone interact. energy: -0.397
local terms energy: -66.426305
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -233.809422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.809422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.809422 (E_RNA)
where:
Base-Base interactions energy: -167.436
where: short stacking energy: -64.782
Base-Backbone interact. energy: 0.045
local terms energy: -66.418744
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -225.455569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.455569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.455569 (E_RNA)
where:
Base-Base interactions energy: -155.778
where: short stacking energy: -55.663
Base-Backbone interact. energy: 0.150
local terms energy: -69.827134
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -173.575163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.575163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.575163 (E_RNA)
where:
Base-Base interactions energy: -102.582
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.139
local terms energy: -70.853732
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -7.922
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: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -156.903279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.903279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.903279 (E_RNA)
where:
Base-Base interactions energy: -94.434
where: short stacking energy: -48.017
Base-Backbone interact. energy: -0.897
local terms energy: -61.572759
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -97.145370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.145370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.145370 (E_RNA)
where:
Base-Base interactions energy: -39.465
where: short stacking energy: -39.465
Base-Backbone interact. energy: -0.306
local terms energy: -57.374593
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -97.031474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.031474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.031474 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -38.423
Base-Backbone interact. energy: -0.029
local terms energy: -58.036096
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -86.743370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.743370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.743370 (E_RNA)
where:
Base-Base interactions energy: -28.760
where: short stacking energy: -26.269
Base-Backbone interact. energy: -0.123
local terms energy: -57.860332
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -0.118
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: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -253.821974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.821974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.821974 (E_RNA)
where:
Base-Base interactions energy: -175.519
where: short stacking energy: -66.718
Base-Backbone interact. energy: 0.083
local terms energy: -78.385832
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.721
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -244.954350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.954350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.954350 (E_RNA)
where:
Base-Base interactions energy: -165.166
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.546
local terms energy: -79.242329
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -216.686954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.686954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.686954 (E_RNA)
where:
Base-Base interactions energy: -153.002
where: short stacking energy: -64.976
Base-Backbone interact. energy: 1.064
local terms energy: -64.749382
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -233.010696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.010696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.010696 (E_RNA)
where:
Base-Base interactions energy: -161.482
where: short stacking energy: -66.914
Base-Backbone interact. energy: -0.126
local terms energy: -71.402981
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -250.335565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.335565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.335565 (E_RNA)
where:
Base-Base interactions energy: -166.020
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.540
local terms energy: -83.775107
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -163.875938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.875938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.875938 (E_RNA)
where:
Base-Base interactions energy: -101.849
where: short stacking energy: -59.047
Base-Backbone interact. energy: 1.016
local terms energy: -63.042956
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -141.702079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.702079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.702079 (E_RNA)
where:
Base-Base interactions energy: -75.444
where: short stacking energy: -40.797
Base-Backbone interact. energy: -0.111
local terms energy: -66.146293
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -114.110850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.110850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.110850 (E_RNA)
where:
Base-Base interactions energy: -51.846
where: short stacking energy: -48.702
Base-Backbone interact. energy: -0.246
local terms energy: -62.019087
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -90.749319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.749319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.749319 (E_RNA)
where:
Base-Base interactions energy: -39.693
where: short stacking energy: -38.857
Base-Backbone interact. energy: -0.750
local terms energy: -50.306870
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -81.189979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.189979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.189979 (E_RNA)
where:
Base-Base interactions energy: -41.619
where: short stacking energy: -37.430
Base-Backbone interact. energy: 0.604
local terms energy: -40.174602
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -1.472
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -254.832574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.832574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.832574 (E_RNA)
where:
Base-Base interactions energy: -182.331
where: short stacking energy: -62.046
Base-Backbone interact. energy: 0.397
local terms energy: -72.899331
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -237.325740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.325740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.325740 (E_RNA)
where:
Base-Base interactions energy: -165.495
where: short stacking energy: -68.334
Base-Backbone interact. energy: 0.094
local terms energy: -71.924746
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -19.486
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: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -245.390368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.390368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.390368 (E_RNA)
where:
Base-Base interactions energy: -172.475
where: short stacking energy: -73.122
Base-Backbone interact. energy: -0.210
local terms energy: -72.704973
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -213.624516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.624516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.624516 (E_RNA)
where:
Base-Base interactions energy: -147.679
where: short stacking energy: -64.045
Base-Backbone interact. energy: -0.172
local terms energy: -65.773285
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -155.787189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.787189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.787189 (E_RNA)
where:
Base-Base interactions energy: -89.384
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.062
local terms energy: -66.341917
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -228.353702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.353702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.353702 (E_RNA)
where:
Base-Base interactions energy: -154.236
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.091
local terms energy: -74.026083
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -98.286869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.286869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.286869 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -32.102
Base-Backbone interact. energy: -0.184
local terms energy: -59.376771
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -13.032
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: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -88.612160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.612160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.612160 (E_RNA)
where:
Base-Base interactions energy: -34.957
where: short stacking energy: -27.314
Base-Backbone interact. energy: -0.083
local terms energy: -53.571658
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: 0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -87.904289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904289 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.128
local terms energy: -57.089290
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -80.998902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.998902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.998902 (E_RNA)
where:
Base-Base interactions energy: -23.229
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.254
local terms energy: -57.516394
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -4.552
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: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -266.806213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.806213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.806213 (E_RNA)
where:
Base-Base interactions energy: -188.850
where: short stacking energy: -72.002
Base-Backbone interact. energy: -0.949
local terms energy: -77.007630
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -249.280353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.280353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.280353 (E_RNA)
where:
Base-Base interactions energy: -171.267
where: short stacking energy: -70.466
Base-Backbone interact. energy: -0.457
local terms energy: -77.556657
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -233.241728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.241728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.241728 (E_RNA)
where:
Base-Base interactions energy: -154.647
where: short stacking energy: -66.533
Base-Backbone interact. energy: -0.913
local terms energy: -77.681660
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -211.491731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.491731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.491731 (E_RNA)
where:
Base-Base interactions energy: -150.696
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.246
local terms energy: -60.549112
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -190.047571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.047571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.047571 (E_RNA)
where:
Base-Base interactions energy: -121.798
where: short stacking energy: -70.825
Base-Backbone interact. energy: 1.001
local terms energy: -69.250839
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -220.191454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.191454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.191454 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -64.307
Base-Backbone interact. energy: -0.254
local terms energy: -77.648483
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -95.238170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.238170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.238170 (E_RNA)
where:
Base-Base interactions energy: -31.758
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.977
local terms energy: -62.503094
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -108.206321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.206321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.206321 (E_RNA)
where:
Base-Base interactions energy: -59.650
where: short stacking energy: -36.729
Base-Backbone interact. energy: 0.088
local terms energy: -48.643849
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -95.862473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.862473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.862473 (E_RNA)
where:
Base-Base interactions energy: -35.528
where: short stacking energy: -32.636
Base-Backbone interact. energy: -0.337
local terms energy: -59.997107
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -83.953009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.953009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.953009 (E_RNA)
where:
Base-Base interactions energy: -31.016
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.219
local terms energy: -52.717508
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -242.831996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.831996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.831996 (E_RNA)
where:
Base-Base interactions energy: -165.588
where: short stacking energy: -66.028
Base-Backbone interact. energy: 0.316
local terms energy: -77.559908
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -257.277347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.277347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.277347 (E_RNA)
where:
Base-Base interactions energy: -184.636
where: short stacking energy: -60.467
Base-Backbone interact. energy: -1.989
local terms energy: -70.652488
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -225.542607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.542607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.542607 (E_RNA)
where:
Base-Base interactions energy: -157.057
where: short stacking energy: -70.353
Base-Backbone interact. energy: -0.064
local terms energy: -68.421812
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -229.908685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.908685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.908685 (E_RNA)
where:
Base-Base interactions energy: -156.392
where: short stacking energy: -65.364
Base-Backbone interact. energy: -0.448
local terms energy: -73.069115
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -230.429523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.429523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.429523 (E_RNA)
where:
Base-Base interactions energy: -155.752
where: short stacking energy: -66.012
Base-Backbone interact. energy: -0.105
local terms energy: -74.572152
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -17.084
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: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -172.848864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.848864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.848864 (E_RNA)
where:
Base-Base interactions energy: -105.538
where: short stacking energy: -36.718
Base-Backbone interact. energy: -0.707
local terms energy: -66.604074
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -7.958
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -111.251568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.251568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.251568 (E_RNA)
where:
Base-Base interactions energy: -56.637
where: short stacking energy: -25.993
Base-Backbone interact. energy: 0.474
local terms energy: -55.088489
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -95.532661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.532661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.532661 (E_RNA)
where:
Base-Base interactions energy: -45.956
where: short stacking energy: -36.801
Base-Backbone interact. energy: -0.495
local terms energy: -49.081824
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -10.004
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: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -101.925991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.925991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.925991 (E_RNA)
where:
Base-Base interactions energy: -34.628
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.664
local terms energy: -66.633614
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -87.990491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.990491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.990491 (E_RNA)
where:
Base-Base interactions energy: -41.795
where: short stacking energy: -21.681
Base-Backbone interact. energy: 2.337
local terms energy: -48.531765
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -6.269
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: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -247.610201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.610201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.610201 (E_RNA)
where:
Base-Base interactions energy: -166.305
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.276
local terms energy: -81.029859
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -261.392257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.392257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.392257 (E_RNA)
where:
Base-Base interactions energy: -186.531
where: short stacking energy: -67.868
Base-Backbone interact. energy: 1.124
local terms energy: -75.985388
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -228.244701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.244701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.244701 (E_RNA)
where:
Base-Base interactions energy: -153.635
where: short stacking energy: -63.898
Base-Backbone interact. energy: 0.749
local terms energy: -75.357948
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -229.064828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.064828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.064828 (E_RNA)
where:
Base-Base interactions energy: -151.970
where: short stacking energy: -72.777
Base-Backbone interact. energy: -0.351
local terms energy: -76.743950
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -223.409464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409464 (E_RNA)
where:
Base-Base interactions energy: -152.612
where: short stacking energy: -59.507
Base-Backbone interact. energy: 0.090
local terms energy: -70.887579
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -161.696791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.696791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.696791 (E_RNA)
where:
Base-Base interactions energy: -95.219
where: short stacking energy: -38.078
Base-Backbone interact. energy: -1.268
local terms energy: -65.209381
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -104.583494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.583494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.583494 (E_RNA)
where:
Base-Base interactions energy: -50.784
where: short stacking energy: -40.215
Base-Backbone interact. energy: -0.229
local terms energy: -53.570830
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -99.953810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.953810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.953810 (E_RNA)
where:
Base-Base interactions energy: -36.443
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.132
local terms energy: -63.378266
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -99.050311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.050311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.050311 (E_RNA)
where:
Base-Base interactions energy: -49.184
where: short stacking energy: -28.105
Base-Backbone interact. energy: -0.340
local terms energy: -49.526999
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: 2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -77.457560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457560 (E_RNA)
where:
Base-Base interactions energy: -27.334
where: short stacking energy: -27.334
Base-Backbone interact. energy: -0.320
local terms energy: -49.803883
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -263.819706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.819706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.819706 (E_RNA)
where:
Base-Base interactions energy: -199.707
where: short stacking energy: -71.504
Base-Backbone interact. energy: 1.691
local terms energy: -65.803632
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -13.451
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: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -245.761439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.761439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.761439 (E_RNA)
where:
Base-Base interactions energy: -170.741
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.035
local terms energy: -74.985502
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -231.585448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.585448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.585448 (E_RNA)
where:
Base-Base interactions energy: -165.028
where: short stacking energy: -67.123
Base-Backbone interact. energy: -0.283
local terms energy: -66.274788
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -216.953658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.953658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.953658 (E_RNA)
where:
Base-Base interactions energy: -154.165
where: short stacking energy: -58.187
Base-Backbone interact. energy: 1.550
local terms energy: -64.339021
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -13.063
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: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -215.461607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.461607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.461607 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -67.113
Base-Backbone interact. energy: 1.440
local terms energy: -67.663645
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.822
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: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -195.175372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.175372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.175372 (E_RNA)
where:
Base-Base interactions energy: -119.843
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.108
local terms energy: -75.223919
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -13.821
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: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -108.125314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.125314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.125314 (E_RNA)
where:
Base-Base interactions energy: -43.168
where: short stacking energy: -43.168
Base-Backbone interact. energy: 0.145
local terms energy: -65.102248
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.257
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: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -95.852485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.852485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.852485 (E_RNA)
where:
Base-Base interactions energy: -33.948
where: short stacking energy: -23.728
Base-Backbone interact. energy: 0.212
local terms energy: -62.116519
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -0.870
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: 448
Temperature: 1.300000
Total energy: -82.306272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.306272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.306272 (E_RNA)
where:
Base-Base interactions energy: -28.623
where: short stacking energy: -27.575
Base-Backbone interact. energy: 1.201
local terms energy: -54.884351
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -88.161472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.161472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.161472 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.030
local terms energy: -56.977773
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -6.291
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: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -255.517680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.517680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.517680 (E_RNA)
where:
Base-Base interactions energy: -182.121
where: short stacking energy: -61.299
Base-Backbone interact. energy: -1.265
local terms energy: -72.130760
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -249.966416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.966416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.966416 (E_RNA)
where:
Base-Base interactions energy: -170.107
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.094
local terms energy: -79.764736
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -241.003563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.003563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.003563 (E_RNA)
where:
Base-Base interactions energy: -173.299
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.711
local terms energy: -66.993959
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -197.091475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.091475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.091475 (E_RNA)
where:
Base-Base interactions energy: -133.875
where: short stacking energy: -56.973
Base-Backbone interact. energy: -0.523
local terms energy: -62.693144
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -6.127
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: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -221.523674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.523674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.523674 (E_RNA)
where:
Base-Base interactions energy: -152.228
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.324
local terms energy: -68.971334
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -8.202
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -158.894591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.894591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.894591 (E_RNA)
where:
Base-Base interactions energy: -96.942
where: short stacking energy: -38.990
Base-Backbone interact. energy: -0.213
local terms energy: -61.739905
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -6.429
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: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -123.467590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.467590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.467590 (E_RNA)
where:
Base-Base interactions energy: -63.224
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.205
local terms energy: -60.038985
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -98.567772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.567772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.567772 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -35.527
Base-Backbone interact. energy: -0.499
local terms energy: -53.712964
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -87.400111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.400111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.400111 (E_RNA)
where:
Base-Base interactions energy: -42.751
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.139
local terms energy: -44.509512
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: 4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -89.880053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.880053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.880053 (E_RNA)
where:
Base-Base interactions energy: -30.857
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.141
local terms energy: -58.881270
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -257.772064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.772064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.772064 (E_RNA)
where:
Base-Base interactions energy: -182.299
where: short stacking energy: -76.157
Base-Backbone interact. energy: -0.086
local terms energy: -75.386746
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -254.995814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.995814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.995814 (E_RNA)
where:
Base-Base interactions energy: -186.395
where: short stacking energy: -67.760
Base-Backbone interact. energy: -1.222
local terms energy: -67.378233
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -230.123406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.123406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.123406 (E_RNA)
where:
Base-Base interactions energy: -157.403
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.195
local terms energy: -72.525330
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -219.810595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.810595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.810595 (E_RNA)
where:
Base-Base interactions energy: -149.670
where: short stacking energy: -55.904
Base-Backbone interact. energy: -0.332
local terms energy: -69.808661
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -10.142
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -229.534496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.534496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.534496 (E_RNA)
where:
Base-Base interactions energy: -150.469
where: short stacking energy: -74.170
Base-Backbone interact. energy: -0.305
local terms energy: -78.760402
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -176.973754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.973754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.973754 (E_RNA)
where:
Base-Base interactions energy: -105.609
where: short stacking energy: -65.403
Base-Backbone interact. energy: -0.586
local terms energy: -70.777958
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -119.909082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.909082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.909082 (E_RNA)
where:
Base-Base interactions energy: -68.006
where: short stacking energy: -40.176
Base-Backbone interact. energy: -0.237
local terms energy: -51.665822
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -5.491
flat angles P-C4'-P energy: -10.604
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: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -95.382184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.382184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.382184 (E_RNA)
where:
Base-Base interactions energy: -42.217
where: short stacking energy: -34.163
Base-Backbone interact. energy: 0.258
local terms energy: -53.422930
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -134.080277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.080277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.080277 (E_RNA)
where:
Base-Base interactions energy: -88.022
where: short stacking energy: -44.646
Base-Backbone interact. energy: -0.113
local terms energy: -45.945875
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: 0.568
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: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -83.392769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.392769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.392769 (E_RNA)
where:
Base-Base interactions energy: -30.356
where: short stacking energy: -30.356
Base-Backbone interact. energy: -0.169
local terms energy: -52.867363
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -1.641
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -247.143755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.143755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.143755 (E_RNA)
where:
Base-Base interactions energy: -171.364
where: short stacking energy: -75.348
Base-Backbone interact. energy: -0.367
local terms energy: -75.412827
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -256.232179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.232179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.232179 (E_RNA)
where:
Base-Base interactions energy: -178.796
where: short stacking energy: -69.702
Base-Backbone interact. energy: -1.168
local terms energy: -76.268462
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -10.940
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -234.248642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.248642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.248642 (E_RNA)
where:
Base-Base interactions energy: -160.632
where: short stacking energy: -76.246
Base-Backbone interact. energy: -0.804
local terms energy: -72.812711
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -229.253049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.253049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.253049 (E_RNA)
where:
Base-Base interactions energy: -151.770
where: short stacking energy: -60.888
Base-Backbone interact. energy: -0.435
local terms energy: -77.048122
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -214.601806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.601806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.601806 (E_RNA)
where:
Base-Base interactions energy: -135.516
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.061
local terms energy: -79.024979
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -168.238589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.238589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.238589 (E_RNA)
where:
Base-Base interactions energy: -103.975
where: short stacking energy: -51.339
Base-Backbone interact. energy: 2.894
local terms energy: -67.158290
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -9.472
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: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -111.121549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.121549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.121549 (E_RNA)
where:
Base-Base interactions energy: -61.512
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.142
local terms energy: -49.467396
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -98.411470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.411470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.411470 (E_RNA)
where:
Base-Base interactions energy: -35.541
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.241
local terms energy: -62.629138
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -89.419570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.419570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.419570 (E_RNA)
where:
Base-Base interactions energy: -37.593
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.270
local terms energy: -51.556494
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -90.961572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.961572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.961572 (E_RNA)
where:
Base-Base interactions energy: -36.337
where: short stacking energy: -36.637
Base-Backbone interact. energy: -0.056
local terms energy: -54.568282
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -254.398913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.398913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.398913 (E_RNA)
where:
Base-Base interactions energy: -178.471
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.204
local terms energy: -75.723727
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -12.462
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: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -247.207368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.207368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.207368 (E_RNA)
where:
Base-Base interactions energy: -166.414
where: short stacking energy: -70.115
Base-Backbone interact. energy: -0.178
local terms energy: -80.615155
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -12.912
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: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -232.398602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.398602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.398602 (E_RNA)
where:
Base-Base interactions energy: -154.460
where: short stacking energy: -59.283
Base-Backbone interact. energy: -0.138
local terms energy: -77.800259
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -226.425572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.425572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.425572 (E_RNA)
where:
Base-Base interactions energy: -150.692
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.814
local terms energy: -74.919425
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -22.519
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: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -229.713123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.713123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.713123 (E_RNA)
where:
Base-Base interactions energy: -158.527
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.338
local terms energy: -70.847589
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -17.401
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: 452
Temperature: 1.150000
Total energy: -173.117559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.117559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.117559 (E_RNA)
where:
Base-Base interactions energy: -103.898
where: short stacking energy: -60.517
Base-Backbone interact. energy: -0.248
local terms energy: -68.971807
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -99.361320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.361320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.361320 (E_RNA)
where:
Base-Base interactions energy: -45.630
where: short stacking energy: -38.780
Base-Backbone interact. energy: -0.038
local terms energy: -53.694122
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -84.958034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.958034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.958034 (E_RNA)
where:
Base-Base interactions energy: -22.877
where: short stacking energy: -23.077
Base-Backbone interact. energy: -0.471
local terms energy: -61.609956
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -80.307594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.307594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.307594 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -27.835
Base-Backbone interact. energy: 1.461
local terms energy: -48.823286
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -7.840
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: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -82.102667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.102667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.102667 (E_RNA)
where:
Base-Base interactions energy: -27.164
where: short stacking energy: -23.223
Base-Backbone interact. energy: 2.617
local terms energy: -57.555945
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.079
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: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -264.434627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.434627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.434627 (E_RNA)
where:
Base-Base interactions energy: -190.333
where: short stacking energy: -63.564
Base-Backbone interact. energy: -1.357
local terms energy: -72.745164
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -251.233633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.233633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.233633 (E_RNA)
where:
Base-Base interactions energy: -176.115
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.257
local terms energy: -74.862277
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -231.958929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.958929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.958929 (E_RNA)
where:
Base-Base interactions energy: -150.982
where: short stacking energy: -75.174
Base-Backbone interact. energy: -0.465
local terms energy: -80.512243
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -234.310214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.310214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.310214 (E_RNA)
where:
Base-Base interactions energy: -159.089
where: short stacking energy: -69.063
Base-Backbone interact. energy: -1.063
local terms energy: -74.158622
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -220.393295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.393295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.393295 (E_RNA)
where:
Base-Base interactions energy: -153.006
where: short stacking energy: -68.081
Base-Backbone interact. energy: -0.049
local terms energy: -67.338270
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -204.789128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.789128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.789128 (E_RNA)
where:
Base-Base interactions energy: -130.103
where: short stacking energy: -77.054
Base-Backbone interact. energy: -0.173
local terms energy: -74.512865
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -125.110603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.110603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.110603 (E_RNA)
where:
Base-Base interactions energy: -80.670
where: short stacking energy: -33.893
Base-Backbone interact. energy: 0.874
local terms energy: -45.314665
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -100.899417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.899417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.899417 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -35.854
Base-Backbone interact. energy: -0.183
local terms energy: -58.578420
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -91.079575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.079575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.079575 (E_RNA)
where:
Base-Base interactions energy: -46.891
where: short stacking energy: -27.205
Base-Backbone interact. energy: 1.305
local terms energy: -45.493658
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -79.354873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.354873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.354873 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -19.182
Base-Backbone interact. energy: -0.375
local terms energy: -50.278893
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -266.681328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.681328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.681328 (E_RNA)
where:
Base-Base interactions energy: -189.020
where: short stacking energy: -65.654
Base-Backbone interact. energy: -1.307
local terms energy: -76.353719
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -240.562264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.562264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.562264 (E_RNA)
where:
Base-Base interactions energy: -163.425
where: short stacking energy: -72.739
Base-Backbone interact. energy: -0.625
local terms energy: -76.512833
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -231.456770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.456770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.456770 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.582
local terms energy: -75.713429
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.476
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: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -228.871917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.871917 (E_RNA)
where:
Base-Base interactions energy: -158.990
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.206
local terms energy: -69.675650
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.426
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: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -194.878750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.878750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.878750 (E_RNA)
where:
Base-Base interactions energy: -115.013
where: short stacking energy: -63.802
Base-Backbone interact. energy: -0.002
local terms energy: -79.864118
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -213.056142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.056142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.056142 (E_RNA)
where:
Base-Base interactions energy: -147.827
where: short stacking energy: -62.563
Base-Backbone interact. energy: -0.260
local terms energy: -64.968599
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -132.081319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.081319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.081319 (E_RNA)
where:
Base-Base interactions energy: -70.333
where: short stacking energy: -38.626
Base-Backbone interact. energy: -0.184
local terms energy: -61.564332
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -99.815175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.815175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.815175 (E_RNA)
where:
Base-Base interactions energy: -43.059
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.281
local terms energy: -56.475160
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: 2.037
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -96.399590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.399590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.399590 (E_RNA)
where:
Base-Base interactions energy: -48.456
where: short stacking energy: -34.455
Base-Backbone interact. energy: 0.053
local terms energy: -47.996248
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -90.935987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.935987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.935987 (E_RNA)
where:
Base-Base interactions energy: -42.562
where: short stacking energy: -31.690
Base-Backbone interact. energy: 0.641
local terms energy: -49.015188
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -8.616
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: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -264.398664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.398664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.398664 (E_RNA)
where:
Base-Base interactions energy: -190.637
where: short stacking energy: -67.280
Base-Backbone interact. energy: 0.563
local terms energy: -74.324996
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -11.598
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: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -239.139130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.139130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.139130 (E_RNA)
where:
Base-Base interactions energy: -162.344
where: short stacking energy: -76.090
Base-Backbone interact. energy: -0.975
local terms energy: -75.820641
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.063
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: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -232.614246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.614246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.614246 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -63.941
Base-Backbone interact. energy: -0.328
local terms energy: -79.427801
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -202.925456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925456 (E_RNA)
where:
Base-Base interactions energy: -133.203
where: short stacking energy: -70.804
Base-Backbone interact. energy: 0.265
local terms energy: -69.986847
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -217.881688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.881688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.881688 (E_RNA)
where:
Base-Base interactions energy: -144.391
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.041
local terms energy: -73.450276
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -14.978
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: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -220.910540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.910540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.910540 (E_RNA)
where:
Base-Base interactions energy: -150.710
where: short stacking energy: -52.189
Base-Backbone interact. energy: -0.272
local terms energy: -69.928507
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -111.126783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.126783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.126783 (E_RNA)
where:
Base-Base interactions energy: -46.627
where: short stacking energy: -44.716
Base-Backbone interact. energy: 0.172
local terms energy: -64.671095
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -87.363744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.363744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.363744 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -28.751
Base-Backbone interact. energy: 0.374
local terms energy: -54.723328
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -97.571678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.571678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.571678 (E_RNA)
where:
Base-Base interactions energy: -50.732
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.480
local terms energy: -46.359557
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -2.784
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -84.174343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.174343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.174343 (E_RNA)
where:
Base-Base interactions energy: -42.777
where: short stacking energy: -24.443
Base-Backbone interact. energy: -0.669
local terms energy: -40.728135
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -264.618799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.618799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.618799 (E_RNA)
where:
Base-Base interactions energy: -191.200
where: short stacking energy: -58.508
Base-Backbone interact. energy: -1.505
local terms energy: -71.913481
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -248.347719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.347719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.347719 (E_RNA)
where:
Base-Base interactions energy: -172.732
where: short stacking energy: -76.016
Base-Backbone interact. energy: -0.631
local terms energy: -74.984956
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -12.010
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: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -235.432000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.432000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.432000 (E_RNA)
where:
Base-Base interactions energy: -150.846
where: short stacking energy: -65.289
Base-Backbone interact. energy: -0.246
local terms energy: -84.340241
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -20.915
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: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -204.219473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.219473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.219473 (E_RNA)
where:
Base-Base interactions energy: -130.036
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.865
local terms energy: -73.318270
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -15.202
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: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -218.525675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.525675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.525675 (E_RNA)
where:
Base-Base interactions energy: -152.534
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.090
local terms energy: -65.901790
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -193.942338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.942338 (E_RNA)
where:
Base-Base interactions energy: -123.746
where: short stacking energy: -42.973
Base-Backbone interact. energy: -1.362
local terms energy: -68.834896
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -97.173409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.173409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.173409 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -40.470
Base-Backbone interact. energy: -0.064
local terms energy: -56.521290
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -4.889
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: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -94.578569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.578569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.578569 (E_RNA)
where:
Base-Base interactions energy: -39.862
where: short stacking energy: -38.312
Base-Backbone interact. energy: 1.371
local terms energy: -56.087292
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -10.183
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: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -88.396871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.396871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.396871 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -31.442
Base-Backbone interact. energy: 0.835
local terms energy: -57.477734
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -83.511042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.511042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.511042 (E_RNA)
where:
Base-Base interactions energy: -28.516
where: short stacking energy: -21.822
Base-Backbone interact. energy: -0.401
local terms energy: -54.594291
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -262.161647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.161647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.161647 (E_RNA)
where:
Base-Base interactions energy: -191.663
where: short stacking energy: -70.468
Base-Backbone interact. energy: -0.374
local terms energy: -70.123923
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -14.998
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: 457
Temperature: 0.950000
Total energy: -244.819254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.819254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.819254 (E_RNA)
where:
Base-Base interactions energy: -165.379
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.574
local terms energy: -78.866220
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -235.216701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.216701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.216701 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -72.331
Base-Backbone interact. energy: -1.726
local terms energy: -82.667270
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -19.992
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: 457
Temperature: 1.050000
Total energy: -224.731985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.731985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.731985 (E_RNA)
where:
Base-Base interactions energy: -149.940
where: short stacking energy: -68.897
Base-Backbone interact. energy: -0.799
local terms energy: -73.992665
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -190.423863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.423863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.423863 (E_RNA)
where:
Base-Base interactions energy: -124.607
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.424
local terms energy: -65.392407
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -6.423
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -162.629960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.629960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.629960 (E_RNA)
where:
Base-Base interactions energy: -110.516
where: short stacking energy: -45.571
Base-Backbone interact. energy: -0.397
local terms energy: -51.716860
where:
bonds (distance) C4'-P energy: -6.858
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -100.717986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.717986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.717986 (E_RNA)
where:
Base-Base interactions energy: -40.304
where: short stacking energy: -31.903
Base-Backbone interact. energy: -0.203
local terms energy: -60.210715
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -103.123766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.123766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.123766 (E_RNA)
where:
Base-Base interactions energy: -38.119
where: short stacking energy: -38.119
Base-Backbone interact. energy: 2.279
local terms energy: -67.283891
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -87.630815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.630815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.630815 (E_RNA)
where:
Base-Base interactions energy: -40.389
where: short stacking energy: -40.389
Base-Backbone interact. energy: -0.355
local terms energy: -46.886728
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -75.343456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.343456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.343456 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.167
local terms energy: -48.703904
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: 4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -258.018490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.018490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.018490 (E_RNA)
where:
Base-Base interactions energy: -177.997
where: short stacking energy: -65.868
Base-Backbone interact. energy: -0.985
local terms energy: -79.035556
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -239.799476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.799476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.799476 (E_RNA)
where:
Base-Base interactions energy: -168.498
where: short stacking energy: -69.562
Base-Backbone interact. energy: 0.029
local terms energy: -71.330034
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -240.480676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.480676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.480676 (E_RNA)
where:
Base-Base interactions energy: -163.496
where: short stacking energy: -58.108
Base-Backbone interact. energy: -1.372
local terms energy: -75.613175
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -229.992003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.992003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.992003 (E_RNA)
where:
Base-Base interactions energy: -146.610
where: short stacking energy: -72.893
Base-Backbone interact. energy: -0.638
local terms energy: -82.743320
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -21.100
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: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -179.943533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.943533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.943533 (E_RNA)
where:
Base-Base interactions energy: -108.079
where: short stacking energy: -63.879
Base-Backbone interact. energy: -1.261
local terms energy: -70.603557
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -168.159257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.159257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.159257 (E_RNA)
where:
Base-Base interactions energy: -98.577
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.829
local terms energy: -68.753460
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -13.366
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: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -104.642188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.642188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.642188 (E_RNA)
where:
Base-Base interactions energy: -46.222
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.641
local terms energy: -57.779005
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -9.422
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: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -96.964104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.964104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.964104 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -37.472
Base-Backbone interact. energy: 0.600
local terms energy: -51.707824
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -82.670490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.670490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.670490 (E_RNA)
where:
Base-Base interactions energy: -25.539
where: short stacking energy: -24.542
Base-Backbone interact. energy: -0.124
local terms energy: -57.008278
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -102.633973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.633973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.633973 (E_RNA)
where:
Base-Base interactions energy: -38.286
where: short stacking energy: -36.083
Base-Backbone interact. energy: -0.160
local terms energy: -64.187243
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -267.668227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.668227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.668227 (E_RNA)
where:
Base-Base interactions energy: -189.194
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.184
local terms energy: -78.290423
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -244.986214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.986214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.986214 (E_RNA)
where:
Base-Base interactions energy: -167.134
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.522
local terms energy: -77.330177
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -14.140
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: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -241.269730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.269730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.269730 (E_RNA)
where:
Base-Base interactions energy: -167.624
where: short stacking energy: -71.685
Base-Backbone interact. energy: -0.111
local terms energy: -73.534008
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -230.999903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999903 (E_RNA)
where:
Base-Base interactions energy: -154.822
where: short stacking energy: -72.905
Base-Backbone interact. energy: 0.479
local terms energy: -76.656577
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -181.962157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.962157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.962157 (E_RNA)
where:
Base-Base interactions energy: -104.685
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.342
local terms energy: -76.935481
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -163.368237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.368237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.368237 (E_RNA)
where:
Base-Base interactions energy: -86.622
where: short stacking energy: -48.967
Base-Backbone interact. energy: -0.054
local terms energy: -76.692509
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -83.651921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.651921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.651921 (E_RNA)
where:
Base-Base interactions energy: -31.325
where: short stacking energy: -31.325
Base-Backbone interact. energy: -0.148
local terms energy: -52.179179
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -92.962299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.962299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.962299 (E_RNA)
where:
Base-Base interactions energy: -50.469
where: short stacking energy: -36.629
Base-Backbone interact. energy: 1.640
local terms energy: -44.132901
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -88.272426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.272426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.272426 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -37.312
Base-Backbone interact. energy: -0.320
local terms energy: -50.641026
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -6.970
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -76.040975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.040975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.040975 (E_RNA)
where:
Base-Base interactions energy: -25.601
where: short stacking energy: -24.516
Base-Backbone interact. energy: -0.452
local terms energy: -49.987537
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -259.690758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.690758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.690758 (E_RNA)
where:
Base-Base interactions energy: -190.438
where: short stacking energy: -63.473
Base-Backbone interact. energy: -2.391
local terms energy: -66.861079
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -240.359938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.359938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.359938 (E_RNA)
where:
Base-Base interactions energy: -163.938
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.505
local terms energy: -75.916999
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -11.464
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: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -237.896185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.896185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.896185 (E_RNA)
where:
Base-Base interactions energy: -159.980
where: short stacking energy: -73.246
Base-Backbone interact. energy: -0.198
local terms energy: -77.718102
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -11.218
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: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -228.034843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.034843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.034843 (E_RNA)
where:
Base-Base interactions energy: -155.106
where: short stacking energy: -65.435
Base-Backbone interact. energy: -0.431
local terms energy: -72.498350
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -178.240031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.240031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.240031 (E_RNA)
where:
Base-Base interactions energy: -115.943
where: short stacking energy: -56.293
Base-Backbone interact. energy: -0.340
local terms energy: -61.957518
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -2.742
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: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -158.173927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.173927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.173927 (E_RNA)
where:
Base-Base interactions energy: -90.674
where: short stacking energy: -41.794
Base-Backbone interact. energy: -0.501
local terms energy: -66.999137
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -10.908
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: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -88.149008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.149008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.149008 (E_RNA)
where:
Base-Base interactions energy: -37.451
where: short stacking energy: -33.317
Base-Backbone interact. energy: 0.265
local terms energy: -50.963045
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -93.006671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.006671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.006671 (E_RNA)
where:
Base-Base interactions energy: -42.846
where: short stacking energy: -38.909
Base-Backbone interact. energy: -0.046
local terms energy: -50.114496
where:
bonds (distance) C4'-P energy: -2.490
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -7.151
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: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -100.826358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.826358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.826358 (E_RNA)
where:
Base-Base interactions energy: -41.704
where: short stacking energy: -31.488
Base-Backbone interact. energy: -0.192
local terms energy: -58.930444
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -81.359634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.359634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.359634 (E_RNA)
where:
Base-Base interactions energy: -28.965
where: short stacking energy: -28.965
Base-Backbone interact. energy: -0.683
local terms energy: -51.712017
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -6.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -255.537931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.537931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.537931 (E_RNA)
where:
Base-Base interactions energy: -185.300
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.623
local terms energy: -69.615096
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -243.463651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.463651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.463651 (E_RNA)
where:
Base-Base interactions energy: -158.634
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.605
local terms energy: -84.224501
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -241.592598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.592598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.592598 (E_RNA)
where:
Base-Base interactions energy: -162.685
where: short stacking energy: -74.208
Base-Backbone interact. energy: -0.592
local terms energy: -78.315333
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -230.730062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.730062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.730062 (E_RNA)
where:
Base-Base interactions energy: -157.657
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.076
local terms energy: -72.997193
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -199.637128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.637128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.637128 (E_RNA)
where:
Base-Base interactions energy: -127.284
where: short stacking energy: -64.231
Base-Backbone interact. energy: -1.084
local terms energy: -71.269049
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -158.379587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.379587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.379587 (E_RNA)
where:
Base-Base interactions energy: -101.235
where: short stacking energy: -39.817
Base-Backbone interact. energy: -0.865
local terms energy: -56.279997
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -99.102248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.102248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.102248 (E_RNA)
where:
Base-Base interactions energy: -42.690
where: short stacking energy: -24.932
Base-Backbone interact. energy: -0.491
local terms energy: -55.921055
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -92.306027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.306027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.306027 (E_RNA)
where:
Base-Base interactions energy: -42.918
where: short stacking energy: -27.156
Base-Backbone interact. energy: -0.079
local terms energy: -49.308834
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -77.405572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.405572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.405572 (E_RNA)
where:
Base-Base interactions energy: -28.084
where: short stacking energy: -23.448
Base-Backbone interact. energy: -0.478
local terms energy: -48.843702
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -3.611
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: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -94.047595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.047595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.047595 (E_RNA)
where:
Base-Base interactions energy: -48.331
where: short stacking energy: -20.545
Base-Backbone interact. energy: -0.962
local terms energy: -44.753701
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: 3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -250.191562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.191562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.191562 (E_RNA)
where:
Base-Base interactions energy: -165.603
where: short stacking energy: -79.319
Base-Backbone interact. energy: -0.746
local terms energy: -83.842607
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -23.088
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: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -238.841647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.841647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.841647 (E_RNA)
where:
Base-Base interactions energy: -158.829
where: short stacking energy: -69.754
Base-Backbone interact. energy: -0.370
local terms energy: -79.643224
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -238.991414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.991414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.991414 (E_RNA)
where:
Base-Base interactions energy: -161.849
where: short stacking energy: -69.870
Base-Backbone interact. energy: 0.238
local terms energy: -77.380186
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -230.714084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.714084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.714084 (E_RNA)
where:
Base-Base interactions energy: -150.866
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.050
local terms energy: -79.798460
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -9.837
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: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -190.888474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.888474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.888474 (E_RNA)
where:
Base-Base interactions energy: -118.817
where: short stacking energy: -55.469
Base-Backbone interact. energy: -0.392
local terms energy: -71.680083
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -186.402791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.402791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.402791 (E_RNA)
where:
Base-Base interactions energy: -117.146
where: short stacking energy: -62.165
Base-Backbone interact. energy: -0.151
local terms energy: -69.105198
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -9.655
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: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -102.700921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.700921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.700921 (E_RNA)
where:
Base-Base interactions energy: -44.114
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.226
local terms energy: -58.361298
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -94.145914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.145914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.145914 (E_RNA)
where:
Base-Base interactions energy: -46.000
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.141
local terms energy: -48.004783
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: 3.100
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: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -93.967415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.967415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.967415 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -36.675
Base-Backbone interact. energy: -0.008
local terms energy: -57.284111
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -88.747799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.747799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.747799 (E_RNA)
where:
Base-Base interactions energy: -34.442
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.049
local terms energy: -54.257028
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -256.950788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.950788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.950788 (E_RNA)
where:
Base-Base interactions energy: -176.709
where: short stacking energy: -77.349
Base-Backbone interact. energy: -0.186
local terms energy: -80.055687
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -255.758278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.758278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.758278 (E_RNA)
where:
Base-Base interactions energy: -186.843
where: short stacking energy: -66.299
Base-Backbone interact. energy: 0.470
local terms energy: -69.384638
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -223.289539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.289539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.289539 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -61.000
Base-Backbone interact. energy: -1.790
local terms energy: -69.676710
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -227.538412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.538412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538412 (E_RNA)
where:
Base-Base interactions energy: -155.843
where: short stacking energy: -66.709
Base-Backbone interact. energy: -0.172
local terms energy: -71.522992
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -208.316921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.316921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.316921 (E_RNA)
where:
Base-Base interactions energy: -131.026
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.738
local terms energy: -76.551978
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -186.198528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.198528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.198528 (E_RNA)
where:
Base-Base interactions energy: -116.669
where: short stacking energy: -60.333
Base-Backbone interact. energy: -0.212
local terms energy: -69.317184
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -91.610206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.610206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.610206 (E_RNA)
where:
Base-Base interactions energy: -40.319
where: short stacking energy: -32.991
Base-Backbone interact. energy: 0.436
local terms energy: -51.727224
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -87.242694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.242694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.242694 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.105
local terms energy: -55.061925
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -79.441660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.441660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.441660 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -20.208
Base-Backbone interact. energy: -0.443
local terms energy: -45.924407
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -5.890
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: 4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -94.307961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.307961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.307961 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -30.248
Base-Backbone interact. energy: 0.099
local terms energy: -53.080252
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -7.833
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: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -261.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.631966 (E_RNA)
where:
Base-Base interactions energy: -177.947
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.666
local terms energy: -83.018788
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -255.408535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.408535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.408535 (E_RNA)
where:
Base-Base interactions energy: -174.437
where: short stacking energy: -74.191
Base-Backbone interact. energy: -1.428
local terms energy: -79.543527
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -231.092980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.092980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.092980 (E_RNA)
where:
Base-Base interactions energy: -162.785
where: short stacking energy: -64.461
Base-Backbone interact. energy: 0.101
local terms energy: -68.409065
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -13.047
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: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -229.128532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.128532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.128532 (E_RNA)
where:
Base-Base interactions energy: -151.711
where: short stacking energy: -64.502
Base-Backbone interact. energy: 0.302
local terms energy: -77.718750
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -198.710534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.710534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.710534 (E_RNA)
where:
Base-Base interactions energy: -123.263
where: short stacking energy: -69.176
Base-Backbone interact. energy: -1.182
local terms energy: -74.265367
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -11.282
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: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -199.124375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.124375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.124375 (E_RNA)
where:
Base-Base interactions energy: -123.043
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.050
local terms energy: -76.030685
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -112.135717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.135717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.135717 (E_RNA)
where:
Base-Base interactions energy: -48.305
where: short stacking energy: -42.900
Base-Backbone interact. energy: -0.619
local terms energy: -63.212068
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -91.452288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.452288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.452288 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -31.249
Base-Backbone interact. energy: 1.645
local terms energy: -53.740505
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -89.402174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.402174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.402174 (E_RNA)
where:
Base-Base interactions energy: -37.467
where: short stacking energy: -29.324
Base-Backbone interact. energy: -0.152
local terms energy: -51.782344
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: 5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.019871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.019871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.019871 (E_RNA)
where:
Base-Base interactions energy: -41.614
where: short stacking energy: -21.016
Base-Backbone interact. energy: -0.120
local terms energy: -35.286350
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -252.916997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.916997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.916997 (E_RNA)
where:
Base-Base interactions energy: -173.737
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.827
local terms energy: -78.353618
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -11.143
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: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -248.589367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.589367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.589367 (E_RNA)
where:
Base-Base interactions energy: -160.623
where: short stacking energy: -69.810
Base-Backbone interact. energy: -1.797
local terms energy: -86.169725
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -235.148927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.148927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.148927 (E_RNA)
where:
Base-Base interactions energy: -157.630
where: short stacking energy: -72.180
Base-Backbone interact. energy: -0.487
local terms energy: -77.032587
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -13.367
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: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -234.083666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.083666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.083666 (E_RNA)
where:
Base-Base interactions energy: -152.934
where: short stacking energy: -66.871
Base-Backbone interact. energy: -0.973
local terms energy: -80.176842
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -177.235311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.235311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.235311 (E_RNA)
where:
Base-Base interactions energy: -111.774
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.107
local terms energy: -65.354095
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -123.514806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.514806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.514806 (E_RNA)
where:
Base-Base interactions energy: -65.470
where: short stacking energy: -51.232
Base-Backbone interact. energy: -0.315
local terms energy: -57.729878
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -8.652
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -186.969607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.969607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.969607 (E_RNA)
where:
Base-Base interactions energy: -114.609
where: short stacking energy: -54.235
Base-Backbone interact. energy: -0.016
local terms energy: -72.344821
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -101.136312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.136312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.136312 (E_RNA)
where:
Base-Base interactions energy: -47.241
where: short stacking energy: -25.685
Base-Backbone interact. energy: 1.839
local terms energy: -55.733627
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -13.489
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: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -87.437997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.437997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.437997 (E_RNA)
where:
Base-Base interactions energy: -29.455
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.143
local terms energy: -57.839800
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -81.298119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.298119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.298119 (E_RNA)
where:
Base-Base interactions energy: -28.949
where: short stacking energy: -26.333
Base-Backbone interact. energy: -1.025
local terms energy: -51.324387
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -261.785661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.785661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.785661 (E_RNA)
where:
Base-Base interactions energy: -200.921
where: short stacking energy: -64.002
Base-Backbone interact. energy: -1.094
local terms energy: -59.770085
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -242.261694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.261694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.261694 (E_RNA)
where:
Base-Base interactions energy: -171.780
where: short stacking energy: -66.725
Base-Backbone interact. energy: 0.139
local terms energy: -70.620953
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -245.893491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.893491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.893491 (E_RNA)
where:
Base-Base interactions energy: -169.172
where: short stacking energy: -70.465
Base-Backbone interact. energy: -0.271
local terms energy: -76.450301
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -12.747
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: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -219.726879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.726879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.726879 (E_RNA)
where:
Base-Base interactions energy: -156.570
where: short stacking energy: -60.672
Base-Backbone interact. energy: -1.355
local terms energy: -61.801862
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -8.152
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -186.118289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.118289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.118289 (E_RNA)
where:
Base-Base interactions energy: -115.529
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.495
local terms energy: -70.094057
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -123.254421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.254421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.254421 (E_RNA)
where:
Base-Base interactions energy: -61.626
where: short stacking energy: -46.903
Base-Backbone interact. energy: -1.758
local terms energy: -59.870690
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -181.303976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.303976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.303976 (E_RNA)
where:
Base-Base interactions energy: -112.989
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.661
local terms energy: -67.653733
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -90.931500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.931500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.931500 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -27.178
Base-Backbone interact. energy: -0.296
local terms energy: -41.623335
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: 2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -84.097391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.097391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.097391 (E_RNA)
where:
Base-Base interactions energy: -28.965
where: short stacking energy: -27.802
Base-Backbone interact. energy: -0.004
local terms energy: -55.128613
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -8.041
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: 466
Temperature: 1.350000
Total energy: -83.503127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.503127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.503127 (E_RNA)
where:
Base-Base interactions energy: -26.085
where: short stacking energy: -26.000
Base-Backbone interact. energy: -0.028
local terms energy: -57.390380
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -261.898669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.898669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.898669 (E_RNA)
where:
Base-Base interactions energy: -191.859
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.583
local terms energy: -69.456069
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -12.027
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: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -252.609104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.609104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.609104 (E_RNA)
where:
Base-Base interactions energy: -181.366
where: short stacking energy: -71.394
Base-Backbone interact. energy: -0.374
local terms energy: -70.868270
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.020
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: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -233.568313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.568313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.568313 (E_RNA)
where:
Base-Base interactions energy: -154.325
where: short stacking energy: -72.530
Base-Backbone interact. energy: 1.036
local terms energy: -80.279383
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -12.316
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: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -234.899692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.899692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.899692 (E_RNA)
where:
Base-Base interactions energy: -159.691
where: short stacking energy: -67.310
Base-Backbone interact. energy: 0.309
local terms energy: -75.517593
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.350
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: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -189.661357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.661357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.661357 (E_RNA)
where:
Base-Base interactions energy: -117.213
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.332
local terms energy: -72.115728
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -183.847172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.847172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.847172 (E_RNA)
where:
Base-Base interactions energy: -108.245
where: short stacking energy: -56.088
Base-Backbone interact. energy: -0.069
local terms energy: -75.532916
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -13.445
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: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -102.941831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.941831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.941831 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -34.309
Base-Backbone interact. energy: -0.694
local terms energy: -64.539449
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -11.127
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: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -101.667080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.667080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.667080 (E_RNA)
where:
Base-Base interactions energy: -47.310
where: short stacking energy: -37.001
Base-Backbone interact. energy: 0.363
local terms energy: -54.720284
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -1.814
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -88.502330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502330 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -38.895
Base-Backbone interact. energy: -0.105
local terms energy: -48.516092
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -78.875997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.875997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.875997 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -19.115
Base-Backbone interact. energy: -0.330
local terms energy: -50.135630
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: 0.476
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: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -248.935096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.935096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.935096 (E_RNA)
where:
Base-Base interactions energy: -165.526
where: short stacking energy: -68.230
Base-Backbone interact. energy: -1.640
local terms energy: -81.769146
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -21.442
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: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -265.001224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.001224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.001224 (E_RNA)
where:
Base-Base interactions energy: -187.672
where: short stacking energy: -59.878
Base-Backbone interact. energy: -1.048
local terms energy: -76.281101
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -235.796366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.796366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.796366 (E_RNA)
where:
Base-Base interactions energy: -154.530
where: short stacking energy: -61.901
Base-Backbone interact. energy: -0.287
local terms energy: -80.978912
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -21.149
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -230.165797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.165797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.165797 (E_RNA)
where:
Base-Base interactions energy: -160.795
where: short stacking energy: -68.167
Base-Backbone interact. energy: 1.011
local terms energy: -70.381350
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -208.909596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.909596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.909596 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -69.457
Base-Backbone interact. energy: -0.006
local terms energy: -72.095111
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -190.072974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.072974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.072974 (E_RNA)
where:
Base-Base interactions energy: -113.955
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.002
local terms energy: -76.116739
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -8.290
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: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -98.448338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.448338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.448338 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -41.787
Base-Backbone interact. energy: 0.929
local terms energy: -57.589970
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -102.704941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.704941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.704941 (E_RNA)
where:
Base-Base interactions energy: -46.846
where: short stacking energy: -46.846
Base-Backbone interact. energy: -0.137
local terms energy: -55.721311
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -12.270
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: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -89.222578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.222578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.222578 (E_RNA)
where:
Base-Base interactions energy: -35.105
where: short stacking energy: -32.989
Base-Backbone interact. energy: -0.022
local terms energy: -54.095952
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -84.845400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.845400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.845400 (E_RNA)
where:
Base-Base interactions energy: -27.321
where: short stacking energy: -26.305
Base-Backbone interact. energy: -0.059
local terms energy: -57.464926
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -6.109
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: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -252.416627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.416627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.416627 (E_RNA)
where:
Base-Base interactions energy: -170.969
where: short stacking energy: -60.074
Base-Backbone interact. energy: -0.458
local terms energy: -80.989804
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -12.511
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: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -257.556159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.556159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.556159 (E_RNA)
where:
Base-Base interactions energy: -184.665
where: short stacking energy: -63.700
Base-Backbone interact. energy: 1.000
local terms energy: -73.890923
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -237.490698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.490698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.490698 (E_RNA)
where:
Base-Base interactions energy: -154.171
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.065
local terms energy: -83.255025
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -233.957189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.957189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.957189 (E_RNA)
where:
Base-Base interactions energy: -161.786
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.701
local terms energy: -71.470358
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -186.651697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.651697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.651697 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.186
local terms energy: -71.107663
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -186.272143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.272143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.272143 (E_RNA)
where:
Base-Base interactions energy: -115.583
where: short stacking energy: -47.691
Base-Backbone interact. energy: -0.004
local terms energy: -70.684507
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -101.762440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.762440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.762440 (E_RNA)
where:
Base-Base interactions energy: -52.810
where: short stacking energy: -42.127
Base-Backbone interact. energy: -0.130
local terms energy: -48.822628
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -9.804
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: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -105.729645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.729645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.729645 (E_RNA)
where:
Base-Base interactions energy: -50.673
where: short stacking energy: -32.424
Base-Backbone interact. energy: 3.397
local terms energy: -58.454489
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -95.452409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.452409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.452409 (E_RNA)
where:
Base-Base interactions energy: -37.316
where: short stacking energy: -36.938
Base-Backbone interact. energy: -0.025
local terms energy: -58.110674
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -9.396
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: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -88.450099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450099 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.132
local terms energy: -58.273664
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -5.329
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: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -256.555336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.555336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.555336 (E_RNA)
where:
Base-Base interactions energy: -178.825
where: short stacking energy: -65.195
Base-Backbone interact. energy: -0.732
local terms energy: -76.998638
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -257.656848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.656848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.656848 (E_RNA)
where:
Base-Base interactions energy: -180.943
where: short stacking energy: -63.508
Base-Backbone interact. energy: 1.235
local terms energy: -77.948245
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -225.031687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.031687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.031687 (E_RNA)
where:
Base-Base interactions energy: -152.300
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.799
local terms energy: -71.932466
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -12.532
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: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -224.687654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.687654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.687654 (E_RNA)
where:
Base-Base interactions energy: -156.967
where: short stacking energy: -68.511
Base-Backbone interact. energy: 0.526
local terms energy: -68.245929
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -190.915215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.915215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.915215 (E_RNA)
where:
Base-Base interactions energy: -116.494
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.716
local terms energy: -73.705285
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -18.691
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: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -171.015014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.015014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.015014 (E_RNA)
where:
Base-Base interactions energy: -107.569
where: short stacking energy: -54.913
Base-Backbone interact. energy: -0.090
local terms energy: -63.356250
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -94.834915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.834915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.834915 (E_RNA)
where:
Base-Base interactions energy: -37.804
where: short stacking energy: -30.622
Base-Backbone interact. energy: -1.251
local terms energy: -55.779931
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -84.206298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.206298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.206298 (E_RNA)
where:
Base-Base interactions energy: -21.574
where: short stacking energy: -21.574
Base-Backbone interact. energy: 0.773
local terms energy: -63.405425
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -15.804
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -94.107790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.107790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.107790 (E_RNA)
where:
Base-Base interactions energy: -44.452
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.125
local terms energy: -49.531086
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -94.413966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.413966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.413966 (E_RNA)
where:
Base-Base interactions energy: -37.285
where: short stacking energy: -36.865
Base-Backbone interact. energy: -0.189
local terms energy: -56.939385
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -255.082994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.082994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.082994 (E_RNA)
where:
Base-Base interactions energy: -172.492
where: short stacking energy: -65.621
Base-Backbone interact. energy: 0.946
local terms energy: -83.536121
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -12.224
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: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -260.475298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.475298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.475298 (E_RNA)
where:
Base-Base interactions energy: -187.609
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.555
local terms energy: -72.310712
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -234.179441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.179441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.179441 (E_RNA)
where:
Base-Base interactions energy: -155.049
where: short stacking energy: -73.404
Base-Backbone interact. energy: -0.357
local terms energy: -78.773171
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -192.936675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936675 (E_RNA)
where:
Base-Base interactions energy: -115.974
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.062
local terms energy: -76.899805
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -212.826844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.826844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.826844 (E_RNA)
where:
Base-Base interactions energy: -152.178
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.159
local terms energy: -60.490385
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -1.739
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -178.848421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.848421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.848421 (E_RNA)
where:
Base-Base interactions energy: -118.749
where: short stacking energy: -66.313
Base-Backbone interact. energy: 0.491
local terms energy: -60.590079
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -86.407398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.407398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.407398 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -26.820
Base-Backbone interact. energy: -0.069
local terms energy: -52.995453
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -94.969276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.969276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.969276 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -26.610
Base-Backbone interact. energy: -0.709
local terms energy: -51.425024
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -7.040
flat angles P-C4'-P energy: -8.971
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: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -100.067232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.067232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.067232 (E_RNA)
where:
Base-Base interactions energy: -48.412
where: short stacking energy: -22.322
Base-Backbone interact. energy: -0.326
local terms energy: -51.329412
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.266
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: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -82.617868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.617868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.617868 (E_RNA)
where:
Base-Base interactions energy: -33.052
where: short stacking energy: -29.541
Base-Backbone interact. energy: 0.053
local terms energy: -49.618993
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: 1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -240.104366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.104366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.104366 (E_RNA)
where:
Base-Base interactions energy: -158.636
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.610
local terms energy: -80.858898
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -253.563530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.563530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.563530 (E_RNA)
where:
Base-Base interactions energy: -169.526
where: short stacking energy: -78.045
Base-Backbone interact. energy: 0.319
local terms energy: -84.356834
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -232.305372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.305372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.305372 (E_RNA)
where:
Base-Base interactions energy: -159.157
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.392
local terms energy: -72.756366
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -187.053295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.053295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.053295 (E_RNA)
where:
Base-Base interactions energy: -109.396
where: short stacking energy: -58.046
Base-Backbone interact. energy: 0.508
local terms energy: -78.165289
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -11.478
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: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -231.159373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.159373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.159373 (E_RNA)
where:
Base-Base interactions energy: -153.830
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.462
local terms energy: -76.866788
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.689
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: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -161.250935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.250935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.250935 (E_RNA)
where:
Base-Base interactions energy: -89.050
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.211
local terms energy: -71.990015
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -102.250458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.250458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.250458 (E_RNA)
where:
Base-Base interactions energy: -41.335
where: short stacking energy: -38.706
Base-Backbone interact. energy: -0.062
local terms energy: -60.853443
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -89.528432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.528432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.528432 (E_RNA)
where:
Base-Base interactions energy: -33.868
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.314
local terms energy: -55.346787
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -104.661401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.661401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.661401 (E_RNA)
where:
Base-Base interactions energy: -40.591
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.032
local terms energy: -64.038627
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -99.734660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.734660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.734660 (E_RNA)
where:
Base-Base interactions energy: -44.362
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.313
local terms energy: -55.059710
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -237.388562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.388562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.388562 (E_RNA)
where:
Base-Base interactions energy: -159.266
where: short stacking energy: -74.207
Base-Backbone interact. energy: -0.179
local terms energy: -77.943247
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.475
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -254.868782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.868782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.868782 (E_RNA)
where:
Base-Base interactions energy: -170.973
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.299
local terms energy: -83.596130
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -240.027693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.027693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.027693 (E_RNA)
where:
Base-Base interactions energy: -163.288
where: short stacking energy: -72.803
Base-Backbone interact. energy: -0.202
local terms energy: -76.536883
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -223.570585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.570585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.570585 (E_RNA)
where:
Base-Base interactions energy: -152.286
where: short stacking energy: -65.256
Base-Backbone interact. energy: -0.384
local terms energy: -70.900415
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -181.619380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.619380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.619380 (E_RNA)
where:
Base-Base interactions energy: -113.488
where: short stacking energy: -58.439
Base-Backbone interact. energy: -0.703
local terms energy: -67.428133
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -17.354
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: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -187.955381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.955381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.955381 (E_RNA)
where:
Base-Base interactions energy: -117.804
where: short stacking energy: -51.614
Base-Backbone interact. energy: -0.449
local terms energy: -69.701702
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -102.937591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.937591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.937591 (E_RNA)
where:
Base-Base interactions energy: -43.456
where: short stacking energy: -41.626
Base-Backbone interact. energy: -0.094
local terms energy: -59.387175
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -88.292262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292262 (E_RNA)
where:
Base-Base interactions energy: -39.014
where: short stacking energy: -36.042
Base-Backbone interact. energy: 0.083
local terms energy: -49.360783
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -8.486
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: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -79.353031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.353031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.353031 (E_RNA)
where:
Base-Base interactions energy: -23.052
where: short stacking energy: -22.360
Base-Backbone interact. energy: 0.125
local terms energy: -56.426267
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -7.044
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: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -89.986766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.986766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.986766 (E_RNA)
where:
Base-Base interactions energy: -35.780
where: short stacking energy: -28.678
Base-Backbone interact. energy: 0.250
local terms energy: -54.456708
where:
bonds (distance) C4'-P energy: -7.025
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -252.891858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.891858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.891858 (E_RNA)
where:
Base-Base interactions energy: -169.157
where: short stacking energy: -65.960
Base-Backbone interact. energy: 0.807
local terms energy: -84.541896
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -15.356
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: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -234.101936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.101936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.101936 (E_RNA)
where:
Base-Base interactions energy: -155.862
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.202
local terms energy: -78.038350
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -230.183148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.183148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.183148 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -66.132
Base-Backbone interact. energy: -1.158
local terms energy: -75.905368
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -234.171060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.171060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.171060 (E_RNA)
where:
Base-Base interactions energy: -158.137
where: short stacking energy: -61.330
Base-Backbone interact. energy: -0.372
local terms energy: -75.661914
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -179.689080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.689080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.689080 (E_RNA)
where:
Base-Base interactions energy: -120.508
where: short stacking energy: -56.979
Base-Backbone interact. energy: 2.185
local terms energy: -61.366661
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -150.228009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.228009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.228009 (E_RNA)
where:
Base-Base interactions energy: -88.043
where: short stacking energy: -45.855
Base-Backbone interact. energy: -0.261
local terms energy: -61.923396
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -7.314
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: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -97.627635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.627635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.627635 (E_RNA)
where:
Base-Base interactions energy: -32.802
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.233
local terms energy: -64.592932
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.767
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: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -94.282347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.282347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.282347 (E_RNA)
where:
Base-Base interactions energy: -39.158
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.143
local terms energy: -54.980966
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -1.405
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: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -89.688736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.688736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.688736 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -29.707
Base-Backbone interact. energy: -0.172
local terms energy: -51.892553
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -89.160356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.160356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.160356 (E_RNA)
where:
Base-Base interactions energy: -42.228
where: short stacking energy: -38.222
Base-Backbone interact. energy: -0.096
local terms energy: -46.836489
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -2.194
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -257.836002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.836002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.836002 (E_RNA)
where:
Base-Base interactions energy: -179.747
where: short stacking energy: -69.781
Base-Backbone interact. energy: -0.067
local terms energy: -78.022457
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -239.692203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.692203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.692203 (E_RNA)
where:
Base-Base interactions energy: -155.302
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.150
local terms energy: -84.239428
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -17.288
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: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -240.521686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.521686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.521686 (E_RNA)
where:
Base-Base interactions energy: -171.437
where: short stacking energy: -69.822
Base-Backbone interact. energy: 0.688
local terms energy: -69.772588
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -230.421206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.421206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.421206 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -66.988
Base-Backbone interact. energy: -0.667
local terms energy: -80.989226
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -23.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -197.087373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.087373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.087373 (E_RNA)
where:
Base-Base interactions energy: -130.417
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.012
local terms energy: -66.658533
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -140.144997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.144997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.144997 (E_RNA)
where:
Base-Base interactions energy: -72.630
where: short stacking energy: -45.609
Base-Backbone interact. energy: -0.054
local terms energy: -67.461028
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -115.683218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.683218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.683218 (E_RNA)
where:
Base-Base interactions energy: -58.746
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.717
local terms energy: -56.219864
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -93.546774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.546774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.546774 (E_RNA)
where:
Base-Base interactions energy: -30.761
where: short stacking energy: -30.696
Base-Backbone interact. energy: -0.200
local terms energy: -62.585955
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -8.113
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: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -82.549249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549249 (E_RNA)
where:
Base-Base interactions energy: -36.747
where: short stacking energy: -31.480
Base-Backbone interact. energy: 1.451
local terms energy: -47.253266
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -3.582
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: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -89.825893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.825893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.825893 (E_RNA)
where:
Base-Base interactions energy: -32.394
where: short stacking energy: -32.394
Base-Backbone interact. energy: -0.169
local terms energy: -57.262576
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -6.846
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: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -245.979785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.979785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.979785 (E_RNA)
where:
Base-Base interactions energy: -169.910
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.161
local terms energy: -75.909038
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -250.098956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.098956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.098956 (E_RNA)
where:
Base-Base interactions energy: -171.407
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.293
local terms energy: -78.398503
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -246.075278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.075278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.075278 (E_RNA)
where:
Base-Base interactions energy: -172.127
where: short stacking energy: -63.978
Base-Backbone interact. energy: -0.059
local terms energy: -73.889707
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -231.918492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.918492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.918492 (E_RNA)
where:
Base-Base interactions energy: -154.590
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.365
local terms energy: -76.963012
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -190.586178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.586178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.586178 (E_RNA)
where:
Base-Base interactions energy: -119.987
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.480
local terms energy: -70.119359
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -120.617920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.617920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.617920 (E_RNA)
where:
Base-Base interactions energy: -54.240
where: short stacking energy: -50.632
Base-Backbone interact. energy: -0.195
local terms energy: -66.183263
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.269
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: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -129.028111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.028111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.028111 (E_RNA)
where:
Base-Base interactions energy: -72.577
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.110
local terms energy: -56.341014
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -8.537
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: 476
Temperature: 1.250000
Total energy: -89.638068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.638068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.638068 (E_RNA)
where:
Base-Base interactions energy: -38.941
where: short stacking energy: -38.717
Base-Backbone interact. energy: -0.089
local terms energy: -50.608538
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -8.591
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: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -92.491721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.491721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.491721 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -35.380
Base-Backbone interact. energy: 2.283
local terms energy: -55.714662
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: 0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -78.359657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.359657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.359657 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -18.545
Base-Backbone interact. energy: -1.269
local terms energy: -41.088117
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: 2.361
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: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -244.840302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.840302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.840302 (E_RNA)
where:
Base-Base interactions energy: -165.004
where: short stacking energy: -71.184
Base-Backbone interact. energy: -0.583
local terms energy: -79.253514
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -255.866483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.866483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.866483 (E_RNA)
where:
Base-Base interactions energy: -177.727
where: short stacking energy: -70.294
Base-Backbone interact. energy: -1.059
local terms energy: -77.080506
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -249.081572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.081572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.081572 (E_RNA)
where:
Base-Base interactions energy: -169.892
where: short stacking energy: -70.383
Base-Backbone interact. energy: -0.470
local terms energy: -78.719504
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -226.603701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.603701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.603701 (E_RNA)
where:
Base-Base interactions energy: -152.200
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.112
local terms energy: -74.292063
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -182.869090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.869090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.869090 (E_RNA)
where:
Base-Base interactions energy: -117.086
where: short stacking energy: -59.739
Base-Backbone interact. energy: 0.510
local terms energy: -66.293760
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.252
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: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -106.382754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.382754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.382754 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -28.416
Base-Backbone interact. energy: -0.086
local terms energy: -64.331918
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -104.159605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.159605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.159605 (E_RNA)
where:
Base-Base interactions energy: -42.738
where: short stacking energy: -40.938
Base-Backbone interact. energy: -0.192
local terms energy: -61.229345
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -91.714793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.714793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.714793 (E_RNA)
where:
Base-Base interactions energy: -30.787
where: short stacking energy: -29.477
Base-Backbone interact. energy: -0.224
local terms energy: -60.703659
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -105.206268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.206268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.206268 (E_RNA)
where:
Base-Base interactions energy: -45.639
where: short stacking energy: -38.591
Base-Backbone interact. energy: 0.139
local terms energy: -59.707191
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -85.173798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.173798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.173798 (E_RNA)
where:
Base-Base interactions energy: -25.626
where: short stacking energy: -27.426
Base-Backbone interact. energy: -0.093
local terms energy: -59.455318
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -3.686
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: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -258.886525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.886525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.886525 (E_RNA)
where:
Base-Base interactions energy: -175.322
where: short stacking energy: -73.590
Base-Backbone interact. energy: -0.351
local terms energy: -83.213739
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -245.719618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.719618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.719618 (E_RNA)
where:
Base-Base interactions energy: -167.681
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.894
local terms energy: -77.144284
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -245.824852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.824852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.824852 (E_RNA)
where:
Base-Base interactions energy: -170.480
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.532
local terms energy: -74.812267
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -222.928079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.928079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.928079 (E_RNA)
where:
Base-Base interactions energy: -158.374
where: short stacking energy: -51.406
Base-Backbone interact. energy: -0.137
local terms energy: -64.417972
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -194.992804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.992804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.992804 (E_RNA)
where:
Base-Base interactions energy: -115.801
where: short stacking energy: -58.760
Base-Backbone interact. energy: -0.731
local terms energy: -78.460398
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -15.709
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: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -105.977266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.977266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.977266 (E_RNA)
where:
Base-Base interactions energy: -49.996
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.089
local terms energy: -55.892626
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -5.650
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: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -109.078450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.078450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.078450 (E_RNA)
where:
Base-Base interactions energy: -44.118
where: short stacking energy: -44.118
Base-Backbone interact. energy: -0.021
local terms energy: -64.939996
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -12.252
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: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -94.152004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.152004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.152004 (E_RNA)
where:
Base-Base interactions energy: -37.164
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.015
local terms energy: -56.972589
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -5.908
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: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -92.836010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.836010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.836010 (E_RNA)
where:
Base-Base interactions energy: -28.591
where: short stacking energy: -27.972
Base-Backbone interact. energy: -0.081
local terms energy: -64.163809
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -94.325486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.325486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.325486 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -29.468
Base-Backbone interact. energy: -0.630
local terms energy: -58.528978
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -257.063313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.063313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.063313 (E_RNA)
where:
Base-Base interactions energy: -180.409
where: short stacking energy: -78.139
Base-Backbone interact. energy: -0.104
local terms energy: -76.550448
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -252.410497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.410497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.410497 (E_RNA)
where:
Base-Base interactions energy: -172.323
where: short stacking energy: -70.373
Base-Backbone interact. energy: -1.199
local terms energy: -78.889342
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -8.901
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -219.530247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.530247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.530247 (E_RNA)
where:
Base-Base interactions energy: -141.821
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.946
local terms energy: -76.763550
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -230.356058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.356058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.356058 (E_RNA)
where:
Base-Base interactions energy: -155.619
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.532
local terms energy: -74.204418
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -187.733252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.733252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.733252 (E_RNA)
where:
Base-Base interactions energy: -122.308
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.025
local terms energy: -65.399617
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.067
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: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -103.329682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.329682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.329682 (E_RNA)
where:
Base-Base interactions energy: -51.233
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.320
local terms energy: -51.775713
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -122.028347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.028347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.028347 (E_RNA)
where:
Base-Base interactions energy: -65.402
where: short stacking energy: -47.163
Base-Backbone interact. energy: 0.096
local terms energy: -56.722081
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -106.717854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.717854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.717854 (E_RNA)
where:
Base-Base interactions energy: -48.412
where: short stacking energy: -47.826
Base-Backbone interact. energy: -0.861
local terms energy: -57.444305
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -96.412425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.412425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.412425 (E_RNA)
where:
Base-Base interactions energy: -41.250
where: short stacking energy: -38.031
Base-Backbone interact. energy: -0.866
local terms energy: -54.297094
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -85.312806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.312806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.312806 (E_RNA)
where:
Base-Base interactions energy: -35.177
where: short stacking energy: -32.634
Base-Backbone interact. energy: -0.699
local terms energy: -49.436622
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -247.505067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.505067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.505067 (E_RNA)
where:
Base-Base interactions energy: -165.656
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.293
local terms energy: -81.556347
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -250.006083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.006083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.006083 (E_RNA)
where:
Base-Base interactions energy: -178.368
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.030
local terms energy: -71.607846
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -10.160
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: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -230.951174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.951174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.951174 (E_RNA)
where:
Base-Base interactions energy: -158.397
where: short stacking energy: -66.364
Base-Backbone interact. energy: -0.775
local terms energy: -71.778545
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -241.269057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.269057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.269057 (E_RNA)
where:
Base-Base interactions energy: -164.474
where: short stacking energy: -75.857
Base-Backbone interact. energy: -0.223
local terms energy: -76.572336
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -218.813514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.813514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.813514 (E_RNA)
where:
Base-Base interactions energy: -148.566
where: short stacking energy: -68.242
Base-Backbone interact. energy: -1.360
local terms energy: -68.887513
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -108.996808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.996808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.996808 (E_RNA)
where:
Base-Base interactions energy: -48.420
where: short stacking energy: -46.144
Base-Backbone interact. energy: -0.227
local terms energy: -60.349867
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -99.828548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.828548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.828548 (E_RNA)
where:
Base-Base interactions energy: -39.154
where: short stacking energy: -35.235
Base-Backbone interact. energy: -0.115
local terms energy: -60.559385
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -11.409
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: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -97.386866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.386866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.386866 (E_RNA)
where:
Base-Base interactions energy: -37.405
where: short stacking energy: -35.403
Base-Backbone interact. energy: -0.002
local terms energy: -59.979516
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -93.319405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.319405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.319405 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.501
local terms energy: -55.838756
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -2.215
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: 480
Temperature: 1.350000
Total energy: -85.915520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.915520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.915520 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -33.749
Base-Backbone interact. energy: -0.100
local terms energy: -51.470653
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: 0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -254.103148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.103148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.103148 (E_RNA)
where:
Base-Base interactions energy: -174.859
where: short stacking energy: -69.208
Base-Backbone interact. energy: -0.182
local terms energy: -79.062263
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -243.183397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.183397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.183397 (E_RNA)
where:
Base-Base interactions energy: -173.961
where: short stacking energy: -60.924
Base-Backbone interact. energy: -0.203
local terms energy: -69.020037
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -15.025
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: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -229.018084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.018084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.018084 (E_RNA)
where:
Base-Base interactions energy: -154.038
where: short stacking energy: -68.870
Base-Backbone interact. energy: 1.319
local terms energy: -76.299386
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -16.243
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: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -225.866118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.866118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.866118 (E_RNA)
where:
Base-Base interactions energy: -151.186
where: short stacking energy: -63.762
Base-Backbone interact. energy: -0.515
local terms energy: -74.165243
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -196.709512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.709512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.709512 (E_RNA)
where:
Base-Base interactions energy: -123.500
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.905
local terms energy: -72.304746
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -100.646830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.646830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.646830 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -36.851
Base-Backbone interact. energy: -0.224
local terms energy: -62.573294
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -94.388303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.388303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.388303 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -34.999
Base-Backbone interact. energy: -0.150
local terms energy: -58.346128
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -9.465
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: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -107.266305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.266305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.266305 (E_RNA)
where:
Base-Base interactions energy: -54.089
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.100
local terms energy: -53.076828
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -5.794
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: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -86.496043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.496043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.496043 (E_RNA)
where:
Base-Base interactions energy: -25.181
where: short stacking energy: -25.181
Base-Backbone interact. energy: -0.201
local terms energy: -61.114043
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -9.825
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: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -83.259429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.259429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.259429 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -30.173
Base-Backbone interact. energy: -0.063
local terms energy: -47.820446
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -8.516
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -251.453519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.453519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.453519 (E_RNA)
where:
Base-Base interactions energy: -166.732
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.114
local terms energy: -84.607282
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -21.330
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: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -247.519311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.519311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.519311 (E_RNA)
where:
Base-Base interactions energy: -169.659
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.297
local terms energy: -77.563397
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -238.966345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.966345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.966345 (E_RNA)
where:
Base-Base interactions energy: -155.070
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.231
local terms energy: -83.665415
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -12.346
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: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -221.315138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.315138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.315138 (E_RNA)
where:
Base-Base interactions energy: -146.429
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.509
local terms energy: -74.376973
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -189.727331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.727331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.727331 (E_RNA)
where:
Base-Base interactions energy: -122.005
where: short stacking energy: -49.242
Base-Backbone interact. energy: -0.370
local terms energy: -67.351956
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -114.485687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.485687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.485687 (E_RNA)
where:
Base-Base interactions energy: -50.984
where: short stacking energy: -50.984
Base-Backbone interact. energy: -0.055
local terms energy: -63.446318
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -109.954696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.954696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.954696 (E_RNA)
where:
Base-Base interactions energy: -58.647
where: short stacking energy: -30.811
Base-Backbone interact. energy: -0.088
local terms energy: -51.219408
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -7.805
flat angles P-C4'-P energy: -12.228
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: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -92.525272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.525272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.525272 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -32.357
Base-Backbone interact. energy: -0.903
local terms energy: -56.582059
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -7.306
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: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -90.137099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.137099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.137099 (E_RNA)
where:
Base-Base interactions energy: -34.831
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.055
local terms energy: -55.250343
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -96.351456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.351456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.351456 (E_RNA)
where:
Base-Base interactions energy: -54.691
where: short stacking energy: -31.943
Base-Backbone interact. energy: 1.060
local terms energy: -42.720679
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -2.791
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: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -248.336505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.336505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.336505 (E_RNA)
where:
Base-Base interactions energy: -172.386
where: short stacking energy: -75.374
Base-Backbone interact. energy: -0.144
local terms energy: -75.806659
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -229.099975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.099975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.099975 (E_RNA)
where:
Base-Base interactions energy: -155.757
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.399
local terms energy: -72.944020
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -239.438263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.438263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.438263 (E_RNA)
where:
Base-Base interactions energy: -163.451
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.481
local terms energy: -75.506071
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -236.442135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.442135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.442135 (E_RNA)
where:
Base-Base interactions energy: -161.777
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.240
local terms energy: -74.424710
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -183.130746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.130746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.130746 (E_RNA)
where:
Base-Base interactions energy: -107.469
where: short stacking energy: -59.082
Base-Backbone interact. energy: -0.869
local terms energy: -74.792240
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -114.132076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.132076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.132076 (E_RNA)
where:
Base-Base interactions energy: -42.994
where: short stacking energy: -37.527
Base-Backbone interact. energy: 1.314
local terms energy: -72.451781
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -86.028684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028684 (E_RNA)
where:
Base-Base interactions energy: -35.667
where: short stacking energy: -33.822
Base-Backbone interact. energy: 1.297
local terms energy: -51.658645
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -86.793844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.793844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.793844 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -33.156
Base-Backbone interact. energy: 0.511
local terms energy: -49.024934
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -88.504946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504946 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -16.813
Base-Backbone interact. energy: -1.302
local terms energy: -52.396900
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -0.435
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: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -77.179058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.179058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.179058 (E_RNA)
where:
Base-Base interactions energy: -28.250
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.221
local terms energy: -48.707883
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -241.292310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.292310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.292310 (E_RNA)
where:
Base-Base interactions energy: -165.334
where: short stacking energy: -70.324
Base-Backbone interact. energy: 0.578
local terms energy: -76.536087
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -243.451684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.451684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.451684 (E_RNA)
where:
Base-Base interactions energy: -163.427
where: short stacking energy: -72.214
Base-Backbone interact. energy: -0.223
local terms energy: -79.801546
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -228.884619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.884619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.884619 (E_RNA)
where:
Base-Base interactions energy: -151.561
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.385
local terms energy: -76.938153
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -235.209023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.209023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.209023 (E_RNA)
where:
Base-Base interactions energy: -161.604
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.204
local terms energy: -73.400992
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -105.153367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.153367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.153367 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -30.666
Base-Backbone interact. energy: -0.127
local terms energy: -62.168045
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -4.692
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: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -183.886891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.886891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.886891 (E_RNA)
where:
Base-Base interactions energy: -124.128
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.565
local terms energy: -59.193703
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -97.596219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.596219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.596219 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -35.861
Base-Backbone interact. energy: -0.131
local terms energy: -59.188138
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -81.934435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.934435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.934435 (E_RNA)
where:
Base-Base interactions energy: -27.109
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.199
local terms energy: -54.626636
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -91.791536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.791536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.791536 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -29.542
Base-Backbone interact. energy: -0.167
local terms energy: -54.324228
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -5.507
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: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -94.294147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.294147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.294147 (E_RNA)
where:
Base-Base interactions energy: -29.410
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.116
local terms energy: -64.768438
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -252.091335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.091335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.091335 (E_RNA)
where:
Base-Base interactions energy: -178.637
where: short stacking energy: -67.756
Base-Backbone interact. energy: 0.439
local terms energy: -73.892906
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -241.296926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.296926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.296926 (E_RNA)
where:
Base-Base interactions energy: -160.445
where: short stacking energy: -77.633
Base-Backbone interact. energy: -0.344
local terms energy: -80.507557
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -239.080502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.080502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.080502 (E_RNA)
where:
Base-Base interactions energy: -160.141
where: short stacking energy: -76.516
Base-Backbone interact. energy: -0.114
local terms energy: -78.825348
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -238.075077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.075077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.075077 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.168
local terms energy: -74.561385
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -139.351696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.351696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.351696 (E_RNA)
where:
Base-Base interactions energy: -63.214
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.260
local terms energy: -75.878013
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.277
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: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -180.685783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.685783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.685783 (E_RNA)
where:
Base-Base interactions energy: -112.315
where: short stacking energy: -54.967
Base-Backbone interact. energy: -0.077
local terms energy: -68.293464
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -7.619
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: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -102.738584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.738584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.738584 (E_RNA)
where:
Base-Base interactions energy: -47.779
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.765
local terms energy: -54.194705
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -107.302181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.302181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.302181 (E_RNA)
where:
Base-Base interactions energy: -41.870
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.065
local terms energy: -65.367100
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -83.999310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.999310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.999310 (E_RNA)
where:
Base-Base interactions energy: -32.367
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.265
local terms energy: -51.367408
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -2.677
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: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -74.403563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.403563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.403563 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.118
local terms energy: -39.740949
where:
bonds (distance) C4'-P energy: -7.128
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -248.445945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.445945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.445945 (E_RNA)
where:
Base-Base interactions energy: -162.496
where: short stacking energy: -70.016
Base-Backbone interact. energy: -0.633
local terms energy: -85.316200
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -11.923
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: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -234.382320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.382320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.382320 (E_RNA)
where:
Base-Base interactions energy: -161.401
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.332
local terms energy: -72.649287
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -7.675
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: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -242.177719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.177719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.177719 (E_RNA)
where:
Base-Base interactions energy: -167.125
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.472
local terms energy: -74.580689
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -9.821
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: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -242.523743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.523743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.523743 (E_RNA)
where:
Base-Base interactions energy: -166.269
where: short stacking energy: -66.819
Base-Backbone interact. energy: -0.250
local terms energy: -76.004379
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -182.820002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.820002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.820002 (E_RNA)
where:
Base-Base interactions energy: -115.397
where: short stacking energy: -57.960
Base-Backbone interact. energy: -1.166
local terms energy: -66.256830
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -117.058718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.058718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.058718 (E_RNA)
where:
Base-Base interactions energy: -54.649
where: short stacking energy: -43.711
Base-Backbone interact. energy: -0.570
local terms energy: -61.838796
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -114.228655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.228655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.228655 (E_RNA)
where:
Base-Base interactions energy: -63.881
where: short stacking energy: -30.933
Base-Backbone interact. energy: -0.412
local terms energy: -49.934989
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -8.109
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: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -85.213413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.213413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.213413 (E_RNA)
where:
Base-Base interactions energy: -36.358
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.113
local terms energy: -48.742418
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: 2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -102.340240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.340240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.340240 (E_RNA)
where:
Base-Base interactions energy: -44.419
where: short stacking energy: -40.051
Base-Backbone interact. energy: -0.661
local terms energy: -57.259908
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -82.708621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.708621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.708621 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.131
local terms energy: -54.496290
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -245.236077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.236077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.236077 (E_RNA)
where:
Base-Base interactions energy: -163.761
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.091
local terms energy: -81.383391
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -252.641012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.641012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.641012 (E_RNA)
where:
Base-Base interactions energy: -173.112
where: short stacking energy: -73.129
Base-Backbone interact. energy: -0.071
local terms energy: -79.457933
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -14.268
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: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -237.539641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.539641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.539641 (E_RNA)
where:
Base-Base interactions energy: -156.888
where: short stacking energy: -75.213
Base-Backbone interact. energy: 0.270
local terms energy: -80.921740
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -229.984477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.984477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.984477 (E_RNA)
where:
Base-Base interactions energy: -158.059
where: short stacking energy: -65.978
Base-Backbone interact. energy: 0.232
local terms energy: -72.157818
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -191.130070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.130070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.130070 (E_RNA)
where:
Base-Base interactions energy: -121.356
where: short stacking energy: -53.351
Base-Backbone interact. energy: -0.586
local terms energy: -69.188147
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -14.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -142.113339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.113339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.113339 (E_RNA)
where:
Base-Base interactions energy: -82.704
where: short stacking energy: -39.924
Base-Backbone interact. energy: -0.008
local terms energy: -59.400586
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -99.431670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.431670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.431670 (E_RNA)
where:
Base-Base interactions energy: -41.417
where: short stacking energy: -35.364
Base-Backbone interact. energy: 0.059
local terms energy: -58.074040
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -2.596
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: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -102.679520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.679520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.679520 (E_RNA)
where:
Base-Base interactions energy: -51.733
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.220
local terms energy: -50.726989
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -1.037
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -90.089887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.089887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.089887 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -35.719
Base-Backbone interact. energy: 0.217
local terms energy: -52.660816
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -82.640164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.640164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.640164 (E_RNA)
where:
Base-Base interactions energy: -38.579
where: short stacking energy: -38.579
Base-Backbone interact. energy: -0.879
local terms energy: -43.182674
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -9.224
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: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -252.513557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.513557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.513557 (E_RNA)
where:
Base-Base interactions energy: -170.228
where: short stacking energy: -67.812
Base-Backbone interact. energy: 0.958
local terms energy: -83.243919
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -18.397
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: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -237.181139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.181139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.181139 (E_RNA)
where:
Base-Base interactions energy: -162.357
where: short stacking energy: -65.027
Base-Backbone interact. energy: 0.039
local terms energy: -74.863467
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -13.191
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: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -246.676356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.676356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.676356 (E_RNA)
where:
Base-Base interactions energy: -162.347
where: short stacking energy: -68.650
Base-Backbone interact. energy: 0.636
local terms energy: -84.965710
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -233.479827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.479827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.479827 (E_RNA)
where:
Base-Base interactions energy: -154.600
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.155
local terms energy: -78.725028
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -192.939591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.939591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.939591 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.012
local terms energy: -72.432234
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -172.951455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.951455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.951455 (E_RNA)
where:
Base-Base interactions energy: -102.609
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.008
local terms energy: -70.334967
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -13.036
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: 488
Temperature: 1.200000
Total energy: -96.326107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.326107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.326107 (E_RNA)
where:
Base-Base interactions energy: -33.603
where: short stacking energy: -27.205
Base-Backbone interact. energy: -0.109
local terms energy: -62.613937
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -8.586
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: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -86.026613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.026613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.026613 (E_RNA)
where:
Base-Base interactions energy: -37.721
where: short stacking energy: -37.721
Base-Backbone interact. energy: -0.126
local terms energy: -48.179108
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -83.506585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.506585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.506585 (E_RNA)
where:
Base-Base interactions energy: -42.334
where: short stacking energy: -41.191
Base-Backbone interact. energy: -0.173
local terms energy: -40.999406
where:
bonds (distance) C4'-P energy: -5.900
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -7.743
flat angles P-C4'-P energy: -5.696
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: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -83.259470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.259470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.259470 (E_RNA)
where:
Base-Base interactions energy: -34.930
where: short stacking energy: -25.609
Base-Backbone interact. energy: -0.086
local terms energy: -48.243413
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -262.055170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.055170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.055170 (E_RNA)
where:
Base-Base interactions energy: -178.348
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.775
local terms energy: -82.932744
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -232.689384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.689384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.689384 (E_RNA)
where:
Base-Base interactions energy: -157.181
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.452
local terms energy: -75.056192
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -235.573717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.573717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.573717 (E_RNA)
where:
Base-Base interactions energy: -160.908
where: short stacking energy: -62.383
Base-Backbone interact. energy: 0.059
local terms energy: -74.724455
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -229.909364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.909364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.909364 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -68.289
Base-Backbone interact. energy: 1.030
local terms energy: -76.532870
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -202.189082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.189082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.189082 (E_RNA)
where:
Base-Base interactions energy: -131.972
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.265
local terms energy: -69.951584
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -11.011
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: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -160.719889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.719889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.719889 (E_RNA)
where:
Base-Base interactions energy: -94.149
where: short stacking energy: -46.597
Base-Backbone interact. energy: -0.035
local terms energy: -66.536615
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -113.906695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.906695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.906695 (E_RNA)
where:
Base-Base interactions energy: -57.862
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.984
local terms energy: -55.060022
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -92.182469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.182469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.182469 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.054
local terms energy: -62.770692
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -8.223
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: 9, replica: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -95.024193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.024193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.024193 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.001
local terms energy: -63.771186
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -9.951
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: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -75.781483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.781483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.781483 (E_RNA)
where:
Base-Base interactions energy: -28.030
where: short stacking energy: -26.820
Base-Backbone interact. energy: -0.195
local terms energy: -47.556049
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -7.262
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -256.111721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.111721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.111721 (E_RNA)
where:
Base-Base interactions energy: -180.051
where: short stacking energy: -75.115
Base-Backbone interact. energy: -0.118
local terms energy: -75.943062
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.772
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: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -240.953264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.953264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.953264 (E_RNA)
where:
Base-Base interactions energy: -163.053
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.296
local terms energy: -77.604210
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -235.878923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.878923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.878923 (E_RNA)
where:
Base-Base interactions energy: -162.870
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.323
local terms energy: -72.685268
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -13.068
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: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -238.422497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.422497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.422497 (E_RNA)
where:
Base-Base interactions energy: -159.525
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.215
local terms energy: -78.682512
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -174.414901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.414901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.414901 (E_RNA)
where:
Base-Base interactions energy: -104.403
where: short stacking energy: -60.820
Base-Backbone interact. energy: -0.152
local terms energy: -69.860110
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -150.443423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.443423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.443423 (E_RNA)
where:
Base-Base interactions energy: -90.174
where: short stacking energy: -46.358
Base-Backbone interact. energy: -0.245
local terms energy: -60.024101
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -93.203822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.203822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.203822 (E_RNA)
where:
Base-Base interactions energy: -42.937
where: short stacking energy: -41.053
Base-Backbone interact. energy: -0.399
local terms energy: -49.867667
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -9.525
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: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -91.422656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.422656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.422656 (E_RNA)
where:
Base-Base interactions energy: -40.554
where: short stacking energy: -23.139
Base-Backbone interact. energy: 1.506
local terms energy: -52.374574
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -106.416599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.416599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.416599 (E_RNA)
where:
Base-Base interactions energy: -45.480
where: short stacking energy: -43.089
Base-Backbone interact. energy: 0.137
local terms energy: -61.073866
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -75.564537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.564537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.564537 (E_RNA)
where:
Base-Base interactions energy: -29.567
where: short stacking energy: -21.765
Base-Backbone interact. energy: 0.447
local terms energy: -46.443939
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -260.083450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.083450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.083450 (E_RNA)
where:
Base-Base interactions energy: -178.324
where: short stacking energy: -69.804
Base-Backbone interact. energy: -0.139
local terms energy: -81.619952
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -239.569803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.569803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.569803 (E_RNA)
where:
Base-Base interactions energy: -165.522
where: short stacking energy: -70.169
Base-Backbone interact. energy: -0.296
local terms energy: -73.751514
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -230.288235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.288235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.288235 (E_RNA)
where:
Base-Base interactions energy: -156.834
where: short stacking energy: -69.790
Base-Backbone interact. energy: 0.082
local terms energy: -73.536154
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -240.142693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.142693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.142693 (E_RNA)
where:
Base-Base interactions energy: -169.307
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.410
local terms energy: -70.424871
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -161.877527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.877527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.877527 (E_RNA)
where:
Base-Base interactions energy: -102.357
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.102
local terms energy: -59.418230
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -196.781329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.781329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.781329 (E_RNA)
where:
Base-Base interactions energy: -129.477
where: short stacking energy: -57.471
Base-Backbone interact. energy: -0.123
local terms energy: -67.181399
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -15.266
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: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -96.301785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.301785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.301785 (E_RNA)
where:
Base-Base interactions energy: -35.237
where: short stacking energy: -28.120
Base-Backbone interact. energy: -0.369
local terms energy: -60.695731
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -95.081140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.081140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.081140 (E_RNA)
where:
Base-Base interactions energy: -45.550
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.195
local terms energy: -49.336612
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -108.328015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.328015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.328015 (E_RNA)
where:
Base-Base interactions energy: -45.030
where: short stacking energy: -37.661
Base-Backbone interact. energy: -0.047
local terms energy: -63.251938
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -87.436951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.436951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.436951 (E_RNA)
where:
Base-Base interactions energy: -30.034
where: short stacking energy: -20.853
Base-Backbone interact. energy: -0.115
local terms energy: -57.287981
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -253.261386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.261386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.261386 (E_RNA)
where:
Base-Base interactions energy: -183.642
where: short stacking energy: -67.294
Base-Backbone interact. energy: 0.254
local terms energy: -69.874079
where:
bonds (distance) C4'-P energy: -8.172
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.846
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: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -237.690273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.690273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.690273 (E_RNA)
where:
Base-Base interactions energy: -160.569
where: short stacking energy: -71.420
Base-Backbone interact. energy: 0.271
local terms energy: -77.393142
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -232.164369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.164369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.164369 (E_RNA)
where:
Base-Base interactions energy: -157.300
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.888
local terms energy: -73.976919
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -14.587
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: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -231.969748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.969748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.969748 (E_RNA)
where:
Base-Base interactions energy: -152.584
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.194
local terms energy: -79.191959
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -17.093
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: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -179.694346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.694346 (E_RNA)
where:
Base-Base interactions energy: -114.839
where: short stacking energy: -49.130
Base-Backbone interact. energy: -0.989
local terms energy: -63.866064
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -12.437
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: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -183.367374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.367374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.367374 (E_RNA)
where:
Base-Base interactions energy: -123.446
where: short stacking energy: -63.228
Base-Backbone interact. energy: 0.512
local terms energy: -60.432778
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -105.762009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.762009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.762009 (E_RNA)
where:
Base-Base interactions energy: -51.858
where: short stacking energy: -36.783
Base-Backbone interact. energy: -0.134
local terms energy: -53.770519
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -90.272935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.272935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.272935 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -24.290
Base-Backbone interact. energy: -0.325
local terms energy: -57.702935
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -10.234
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: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -98.366980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.366980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.366980 (E_RNA)
where:
Base-Base interactions energy: -40.031
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.694
local terms energy: -57.641831
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.444
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: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -89.349132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.349132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.349132 (E_RNA)
where:
Base-Base interactions energy: -23.553
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.132
local terms energy: -65.664889
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -256.223229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.223229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.223229 (E_RNA)
where:
Base-Base interactions energy: -177.949
where: short stacking energy: -57.421
Base-Backbone interact. energy: -0.083
local terms energy: -78.191339
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -12.273
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: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -236.305817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.305817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.305817 (E_RNA)
where:
Base-Base interactions energy: -154.135
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.488
local terms energy: -81.683189
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -232.152072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.152072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.152072 (E_RNA)
where:
Base-Base interactions energy: -151.700
where: short stacking energy: -64.067
Base-Backbone interact. energy: 0.698
local terms energy: -81.150349
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -226.691446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.691446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.691446 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -66.916
Base-Backbone interact. energy: 2.430
local terms energy: -74.437888
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -181.508841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.508841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.508841 (E_RNA)
where:
Base-Base interactions energy: -111.891
where: short stacking energy: -54.850
Base-Backbone interact. energy: 2.472
local terms energy: -72.089719
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -151.949289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.949289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.949289 (E_RNA)
where:
Base-Base interactions energy: -88.195
where: short stacking energy: -49.889
Base-Backbone interact. energy: -0.150
local terms energy: -63.604888
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -9.938
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: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -105.700580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.700580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.700580 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -37.021
Base-Backbone interact. energy: -0.005
local terms energy: -63.460272
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -94.031543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.031543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.031543 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.059
local terms energy: -58.946252
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -7.307
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: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -100.733314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.733314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.733314 (E_RNA)
where:
Base-Base interactions energy: -51.595
where: short stacking energy: -32.197
Base-Backbone interact. energy: -0.353
local terms energy: -48.785793
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: 1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -84.759358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.759358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.759358 (E_RNA)
where:
Base-Base interactions energy: -35.682
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.060
local terms energy: -49.017503
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -235.360268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.360268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.360268 (E_RNA)
where:
Base-Base interactions energy: -158.459
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.229
local terms energy: -76.672288
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -253.258358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.258358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.258358 (E_RNA)
where:
Base-Base interactions energy: -175.004
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.995
local terms energy: -77.259608
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -236.909340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.909340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.909340 (E_RNA)
where:
Base-Base interactions energy: -155.598
where: short stacking energy: -75.733
Base-Backbone interact. energy: -0.146
local terms energy: -81.164529
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -21.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -224.351872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.351872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.351872 (E_RNA)
where:
Base-Base interactions energy: -158.012
where: short stacking energy: -54.793
Base-Backbone interact. energy: 0.268
local terms energy: -66.607747
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -198.486003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.486003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.486003 (E_RNA)
where:
Base-Base interactions energy: -128.401
where: short stacking energy: -61.069
Base-Backbone interact. energy: -0.002
local terms energy: -70.082692
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -179.201822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.201822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.201822 (E_RNA)
where:
Base-Base interactions energy: -115.787
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.167
local terms energy: -63.247976
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -11.987
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: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -102.151339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.151339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.151339 (E_RNA)
where:
Base-Base interactions energy: -45.870
where: short stacking energy: -36.637
Base-Backbone interact. energy: -0.074
local terms energy: -56.207452
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -7.396
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: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -90.785473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.785473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.785473 (E_RNA)
where:
Base-Base interactions energy: -33.565
where: short stacking energy: -29.263
Base-Backbone interact. energy: -0.448
local terms energy: -56.771892
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -90.499351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.499351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.499351 (E_RNA)
where:
Base-Base interactions energy: -44.542
where: short stacking energy: -36.258
Base-Backbone interact. energy: -0.107
local terms energy: -45.850442
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -5.162
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -2.187
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: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -88.175851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.175851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.175851 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -24.856
Base-Backbone interact. energy: -0.219
local terms energy: -46.409987
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -10.237
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: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -238.807269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.807269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.807269 (E_RNA)
where:
Base-Base interactions energy: -156.759
where: short stacking energy: -75.243
Base-Backbone interact. energy: -0.219
local terms energy: -81.829330
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -235.380450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.380450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.380450 (E_RNA)
where:
Base-Base interactions energy: -161.568
where: short stacking energy: -60.246
Base-Backbone interact. energy: -0.286
local terms energy: -73.526133
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -259.135807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.135807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.135807 (E_RNA)
where:
Base-Base interactions energy: -184.191
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.837
local terms energy: -74.108146
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -212.554681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.554681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.554681 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.002
local terms energy: -83.080321
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.015
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: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -229.371466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.371466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.371466 (E_RNA)
where:
Base-Base interactions energy: -157.157
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.476
local terms energy: -71.738623
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -168.786534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.786534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.786534 (E_RNA)
where:
Base-Base interactions energy: -102.220
where: short stacking energy: -51.323
Base-Backbone interact. energy: -0.008
local terms energy: -66.558072
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -7.747
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: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -141.977838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.977838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.977838 (E_RNA)
where:
Base-Base interactions energy: -76.583
where: short stacking energy: -35.698
Base-Backbone interact. energy: -0.173
local terms energy: -65.222024
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -6.946
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: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -93.172048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.172048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.172048 (E_RNA)
where:
Base-Base interactions energy: -41.922
where: short stacking energy: -32.911
Base-Backbone interact. energy: -0.158
local terms energy: -51.091727
where:
bonds (distance) C4'-P energy: -5.007
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -85.775533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.775533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.775533 (E_RNA)
where:
Base-Base interactions energy: -32.840
where: short stacking energy: -30.869
Base-Backbone interact. energy: -0.019
local terms energy: -52.916034
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -77.792190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.792190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.792190 (E_RNA)
where:
Base-Base interactions energy: -31.199
where: short stacking energy: -15.097
Base-Backbone interact. energy: -0.172
local terms energy: -46.420706
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: 1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -245.309799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.309799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.309799 (E_RNA)
where:
Base-Base interactions energy: -163.812
where: short stacking energy: -77.623
Base-Backbone interact. energy: 0.002
local terms energy: -81.499748
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -234.507389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.507389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.507389 (E_RNA)
where:
Base-Base interactions energy: -152.265
where: short stacking energy: -71.904
Base-Backbone interact. energy: 0.238
local terms energy: -82.479822
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -254.226132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.226132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.226132 (E_RNA)
where:
Base-Base interactions energy: -186.148
where: short stacking energy: -65.623
Base-Backbone interact. energy: 0.022
local terms energy: -68.100640
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -16.818
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: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -207.597200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.597200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.597200 (E_RNA)
where:
Base-Base interactions energy: -136.403
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.114
local terms energy: -71.079980
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -235.264823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.264823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.264823 (E_RNA)
where:
Base-Base interactions energy: -156.890
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.369
local terms energy: -78.005615
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -12.564
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: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -166.305849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.305849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.305849 (E_RNA)
where:
Base-Base interactions energy: -112.513
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.196
local terms energy: -53.596521
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -156.181329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.181329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.181329 (E_RNA)
where:
Base-Base interactions energy: -89.441
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.136
local terms energy: -66.605047
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -97.726348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.726348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.726348 (E_RNA)
where:
Base-Base interactions energy: -43.127
where: short stacking energy: -23.632
Base-Backbone interact. energy: -0.753
local terms energy: -53.846834
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -4.185
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: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -81.210885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.210885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.210885 (E_RNA)
where:
Base-Base interactions energy: -27.202
where: short stacking energy: -22.259
Base-Backbone interact. energy: -0.144
local terms energy: -53.864543
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -11.312
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: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -103.249728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.249728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.249728 (E_RNA)
where:
Base-Base interactions energy: -39.461
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.252
local terms energy: -63.537056
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -9.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -246.675649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.675649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.675649 (E_RNA)
where:
Base-Base interactions energy: -160.600
where: short stacking energy: -72.643
Base-Backbone interact. energy: 0.002
local terms energy: -86.078114
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -22.503
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: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -238.710355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.710355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.710355 (E_RNA)
where:
Base-Base interactions energy: -160.642
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.066
local terms energy: -78.002179
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -254.161341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.161341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.161341 (E_RNA)
where:
Base-Base interactions energy: -180.281
where: short stacking energy: -65.522
Base-Backbone interact. energy: -0.397
local terms energy: -73.482600
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -229.231007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.231007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.231007 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.234
local terms energy: -71.637524
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -197.002353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.002353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.002353 (E_RNA)
where:
Base-Base interactions energy: -114.372
where: short stacking energy: -66.825
Base-Backbone interact. energy: 0.190
local terms energy: -82.820697
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -179.990978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.990978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.990978 (E_RNA)
where:
Base-Base interactions energy: -113.483
where: short stacking energy: -58.097
Base-Backbone interact. energy: 0.465
local terms energy: -66.972902
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -139.743247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.743247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.743247 (E_RNA)
where:
Base-Base interactions energy: -75.435
where: short stacking energy: -41.921
Base-Backbone interact. energy: -0.022
local terms energy: -64.286657
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.945
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: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -110.929803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.929803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.929803 (E_RNA)
where:
Base-Base interactions energy: -54.903
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.461
local terms energy: -55.565535
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.406
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: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -91.730166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.730166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.730166 (E_RNA)
where:
Base-Base interactions energy: -29.807
where: short stacking energy: -26.514
Base-Backbone interact. energy: -0.204
local terms energy: -61.719581
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -83.872190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.872190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.872190 (E_RNA)
where:
Base-Base interactions energy: -36.656
where: short stacking energy: -27.431
Base-Backbone interact. energy: 2.003
local terms energy: -49.219361
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -243.843830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.843830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.843830 (E_RNA)
where:
Base-Base interactions energy: -164.020
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.785
local terms energy: -79.039400
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -247.131559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.131559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.131559 (E_RNA)
where:
Base-Base interactions energy: -164.285
where: short stacking energy: -69.999
Base-Backbone interact. energy: -0.989
local terms energy: -81.857343
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -14.191
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: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -233.185772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.185772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.185772 (E_RNA)
where:
Base-Base interactions energy: -160.866
where: short stacking energy: -64.027
Base-Backbone interact. energy: -0.227
local terms energy: -72.092040
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -254.660542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.660542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.660542 (E_RNA)
where:
Base-Base interactions energy: -178.847
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.728
local terms energy: -75.085422
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -196.519235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.519235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.519235 (E_RNA)
where:
Base-Base interactions energy: -121.522
where: short stacking energy: -58.613
Base-Backbone interact. energy: -0.647
local terms energy: -74.349404
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -11.497
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: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -171.140501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.140501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.140501 (E_RNA)
where:
Base-Base interactions energy: -123.252
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.116
local terms energy: -47.772514
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -2.519
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -134.429545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.429545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.429545 (E_RNA)
where:
Base-Base interactions energy: -69.739
where: short stacking energy: -37.381
Base-Backbone interact. energy: -0.035
local terms energy: -64.656117
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -7.826
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: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -148.396460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.396460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.396460 (E_RNA)
where:
Base-Base interactions energy: -87.607
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.394
local terms energy: -60.396065
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -99.497474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.497474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.497474 (E_RNA)
where:
Base-Base interactions energy: -38.105
where: short stacking energy: -37.989
Base-Backbone interact. energy: -0.306
local terms energy: -61.085854
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -84.237968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.237968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.237968 (E_RNA)
where:
Base-Base interactions energy: -26.391
where: short stacking energy: -17.156
Base-Backbone interact. energy: -0.285
local terms energy: -57.561502
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -249.057890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.057890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.057890 (E_RNA)
where:
Base-Base interactions energy: -163.160
where: short stacking energy: -75.862
Base-Backbone interact. energy: 0.148
local terms energy: -86.045328
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -10.739
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: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -243.256490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.256490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.256490 (E_RNA)
where:
Base-Base interactions energy: -164.477
where: short stacking energy: -69.979
Base-Backbone interact. energy: 0.438
local terms energy: -79.217015
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -234.940670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.940670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.940670 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.265
local terms energy: -73.878467
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -255.670463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.670463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.670463 (E_RNA)
where:
Base-Base interactions energy: -183.292
where: short stacking energy: -65.889
Base-Backbone interact. energy: 1.457
local terms energy: -73.835639
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -208.801678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.801678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.801678 (E_RNA)
where:
Base-Base interactions energy: -120.371
where: short stacking energy: -73.544
Base-Backbone interact. energy: -0.005
local terms energy: -88.425141
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -180.556261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.556261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.556261 (E_RNA)
where:
Base-Base interactions energy: -106.884
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.003
local terms energy: -73.669003
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.737
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: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -132.839153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.839153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.839153 (E_RNA)
where:
Base-Base interactions energy: -75.949
where: short stacking energy: -46.491
Base-Backbone interact. energy: 0.111
local terms energy: -57.001784
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -91.026500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.026500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.026500 (E_RNA)
where:
Base-Base interactions energy: -36.512
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.759
local terms energy: -53.755585
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -6.634
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: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -97.401684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.401684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.401684 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.104
local terms energy: -54.801263
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: 1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -78.729031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729031 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -21.757
Base-Backbone interact. energy: -0.252
local terms energy: -44.173634
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: 3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -245.064022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.064022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.064022 (E_RNA)
where:
Base-Base interactions energy: -160.833
where: short stacking energy: -77.337
Base-Backbone interact. energy: -0.201
local terms energy: -84.030208
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -247.512618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.512618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.512618 (E_RNA)
where:
Base-Base interactions energy: -177.515
where: short stacking energy: -63.299
Base-Backbone interact. energy: 1.405
local terms energy: -71.402313
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -234.237040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.237040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.237040 (E_RNA)
where:
Base-Base interactions energy: -158.170
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.043
local terms energy: -76.023458
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -235.279938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.279938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.279938 (E_RNA)
where:
Base-Base interactions energy: -162.886
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.360
local terms energy: -72.034435
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.725
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: 5, replica: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -191.388387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.388387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.388387 (E_RNA)
where:
Base-Base interactions energy: -117.130
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.012
local terms energy: -74.246811
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -179.410887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.410887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.410887 (E_RNA)
where:
Base-Base interactions energy: -112.233
where: short stacking energy: -61.539
Base-Backbone interact. energy: -0.144
local terms energy: -67.034670
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -162.086783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.086783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.086783 (E_RNA)
where:
Base-Base interactions energy: -99.925
where: short stacking energy: -38.747
Base-Backbone interact. energy: -0.092
local terms energy: -62.069650
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -97.128641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.128641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.128641 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -18.254
Base-Backbone interact. energy: -0.154
local terms energy: -62.155965
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -93.657870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.657870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.657870 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -25.984
Base-Backbone interact. energy: -0.448
local terms energy: -52.370530
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -80.907056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.907056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.907056 (E_RNA)
where:
Base-Base interactions energy: -34.670
where: short stacking energy: -34.670
Base-Backbone interact. energy: -0.243
local terms energy: -45.994677
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -237.587824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.587824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.587824 (E_RNA)
where:
Base-Base interactions energy: -157.432
where: short stacking energy: -75.960
Base-Backbone interact. energy: -0.277
local terms energy: -79.879179
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -249.330108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.330108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.330108 (E_RNA)
where:
Base-Base interactions energy: -182.879
where: short stacking energy: -59.042
Base-Backbone interact. energy: -0.116
local terms energy: -66.335203
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -8.123
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: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -237.308731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.308731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.308731 (E_RNA)
where:
Base-Base interactions energy: -169.875
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.480
local terms energy: -66.954052
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -237.038466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.038466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.038466 (E_RNA)
where:
Base-Base interactions energy: -157.387
where: short stacking energy: -75.885
Base-Backbone interact. energy: -0.365
local terms energy: -79.286764
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -191.939823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.939823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.939823 (E_RNA)
where:
Base-Base interactions energy: -126.119
where: short stacking energy: -49.987
Base-Backbone interact. energy: -0.178
local terms energy: -65.642395
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -207.371008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.371008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.371008 (E_RNA)
where:
Base-Base interactions energy: -124.723
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.547
local terms energy: -82.100863
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -144.456976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.456976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.456976 (E_RNA)
where:
Base-Base interactions energy: -80.547
where: short stacking energy: -44.275
Base-Backbone interact. energy: -2.928
local terms energy: -60.981937
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -95.368788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.368788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.368788 (E_RNA)
where:
Base-Base interactions energy: -43.935
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.074
local terms energy: -51.359617
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -84.687845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687845 (E_RNA)
where:
Base-Base interactions energy: -25.334
where: short stacking energy: -25.334
Base-Backbone interact. energy: -0.238
local terms energy: -59.116732
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -9.964
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: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -86.167844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.167844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.167844 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -31.649
Base-Backbone interact. energy: 1.702
local terms energy: -55.413359
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 12889318
moves confirmed later: 14380720
all moves confirmed: 27270038
percent of confirmed moves: 3.408755
current total energy: -218.806270
recalc. total energy: -218.806270
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 12855260
moves confirmed later: 14410419
all moves confirmed: 27265679
percent of confirmed moves: 3.408210
current total energy: -197.363387
recalc. total energy: -197.363387
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 14421890
moves confirmed later: 16397087
all moves confirmed: 30818977
percent of confirmed moves: 3.852372
current total energy: -213.553533
recalc. total energy: -213.553533
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 17971497
moves confirmed later: 21050509
all moves confirmed: 39022006
percent of confirmed moves: 4.877751
current total energy: -198.930181
recalc. total energy: -198.930181
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21866983
moves confirmed later: 26058620
all moves confirmed: 47925603
percent of confirmed moves: 5.990700
current total energy: -150.549263
recalc. total energy: -150.549263
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19647554
moves confirmed later: 23211773
all moves confirmed: 42859327
percent of confirmed moves: 5.357416
current total energy: -136.528201
recalc. total energy: -136.528201
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21416300
moves confirmed later: 25546056
all moves confirmed: 46962356
percent of confirmed moves: 5.870294
current total energy: -70.189032
recalc. total energy: -70.189032
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 21387642
moves confirmed later: 25446695
all moves confirmed: 46834337
percent of confirmed moves: 5.854292
current total energy: -31.599021
recalc. total energy: -31.599021
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 27652889
moves confirmed later: 33738908
all moves confirmed: 61391797
percent of confirmed moves: 7.673975
current total energy: -41.710360
recalc. total energy: -41.710360
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 26209809
moves confirmed later: 31820736
all moves confirmed: 58030545
percent of confirmed moves: 7.253818
current total energy: -51.959386
recalc. total energy: -51.959386
out arg RESULTS//1/JEV4-ed55bda7_01
Time of doing 8000000 iterations: 4266.367 seconds